N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C142H194N22O14 — CID 164958675

About N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 164958675) has the molecular formula C142H194N22O14 and a molecular weight of 2433.25 g/mol. Its IUPAC name is N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
• PubChem CID: 164958675
• Molecular Formula: C142H194N22O14
• Molecular Weight: 2433.25 g/mol
• Exact Mass: 2431.51
• IUPAC Name: N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
• SMILES: C#CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.CCCCOC1CC(NC(=O)c2ccn3c(C)cc(C)nc23)C1.CCOC1(C)CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.Cc1cc(C)n2ccc(C(=O)NC3CCC(C4CCCO4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(Oc4cccnc4)CC3)c2n1
• InChI: InChI=1S/C22H29N3O2.C21H24N4O2.2C21H31N3O2.C20H27N3O2.C19H27N3O2.C18H25N3O2/c1-4-5-6-7-14-27-19-10-8-18(9-11-19)24-22(26)20-12-13-25-17(3)15-16(2)23-21(20)25;1-14-12-15(2)25-11-9-19(20(25)23-14)21(26)24-16-5-7-17(8-6-16)27-18-4-3-10-22-13-18;2*1-4-5-6-13-26-18-9-7-17(8-10-18)23-21(25)19-11-12-24-16(3)14-15(2)22-20(19)24;1-13-12-14(2)23-10-9-17(19(23)21-13)20(24)22-16-7-5-15(6-8-16)18-4-3-11-25-18;1-5-24-19(4)9-6-15(7-10-19)21-18(23)16-8-11-22-14(3)12-13(2)20-17(16)22;1-4-5-8-23-15-10-14(11-15)20-18(22)16-6-7-21-13(3)9-12(2)19-17(16)21/h1,12-13,15,18-19H,5-11,14H2,2-3H3,(H,24,26);3-4,9-13,16-17H,5-8H2,1-2H3,(H,24,26);2*11-12,14,17-18H,4-10,13H2,1-3H3,(H,23,25);9-10,12,15-16,18H,3-8,11H2,1-2H3,(H,22,24);8,11-12,15H,5-7,9-10H2,1-4H3,(H,21,23);6-7,9,14-15H,4-5,8,10-11H2,1-3H3,(H,20,22)
• InChIKey: BNHMRIGHFNSBQE-UHFFFAOYSA-N
• XLogP: 25.54
• TPSA: 402.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.25
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The IUPAC name of N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 164958675) is N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

What is the SMILES notation for N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The canonical SMILES for N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is C#CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.CCCCOC1CC(NC(=O)c2ccn3c(C)cc(C)nc23)C1.CCOC1(C)CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.Cc1cc(C)n2ccc(C(=O)NC3CCC(C4CCCO4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(Oc4cccnc4)CC3)c2n1.

What is the InChIKey of N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The InChIKey is BNHMRIGHFNSBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C21H24N4O2.2C21H31N3O2.C20H27N3O2.C19H27N3O2.C18H25N3O2/c1-4-5-6-7-14-27-19-10-8-18(9-11-19)24-22(26)20-12-13-25-17(3)15-16(2)23-21(20)25;1-14-12-15(2)25-11-9-19(20(25)23-14)21(26)24-16-5-7-17(8-6-16)27-18-4-3-10-22-13-18;2*1-4-5-6-13-26-18-9-7-17(8-10-18)23-21(25)19-11-12-24-16(3)14-15(2)22-20(19)24;1-13-12-14(2)23-10-9-17(19(23)21-13)20(24)22-16-7-5-15(6-8-16)18-4-3-11-25-18;1-5-24-19(4)9-6-15(7-10-19)21-18(23)16-8-11-22-14(3)12-13(2)20-17(16)22;1-4-5-8-23-15-10-14(11-15)20-18(22)16-6-7-21-13(3)9-12(2)19-17(16)21/h1,12-13,15,18-19H,5-11,14H2,2-3H3,(H,24,26);3-4,9-13,16-17H,5-8H2,1-2H3,(H,24,26);2*11-12,14,17-18H,4-10,13H2,1-3H3,(H,23,25);9-10,12,15-16,18H,3-8,11H2,1-2H3,(H,22,24);8,11-12,15H,5-7,9-10H2,1-4H3,(H,21,23);6-7,9,14-15H,4-5,8,10-11H2,1-3H3,(H,20,22).

What are the key properties of N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 2433.25 g/mol, XLogP of 25.54, 38 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-butoxycyclobutyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(oxolan-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide);2,4-dimethyl-N-(4-pyridin-3-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-ethoxy-4-methylcyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(4-hex-5-ynoxycyclohexyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 164958675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).