2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C99H121N17O9S — CID 165073247

IUPAC2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ccco4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4cccs4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4cocn4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ncco4)CC3)c2n1
InChIInChI=1S/C21H31N3O2.C20H23N3O2.C20H23N3OS.2C19H22N4O2/c1-4-5-6-13-26-18-9-7-17(8-10-18)23-21(25)19-11-12-24-16(3)14-15(2)22-20(19)24;2*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;1-12-11-13(2)23-9-7-16(17(23)21-12)18(24)22-15-5-3-14(4-6-15)19-20-8-10-25-19;1-12-9-13(2)23-8-7-16(18(23)21-12)19(24)22-15-5-3-14(4-6-15)17-10-25-11-20-17/h11-12,14,17-18H,4-10,13H2,1-3H3,(H,23,25);2*3-4,9-12,15-16H,5-8H2,1-2H3,(H,22,24);2*7-11,14-15H,3-6H2,1-2H3,(H,22,24)
InChIKeyTWNBOWCHMNYZIB-UHFFFAOYSA-N
MW1725.23 g/mol
LogP19.46
Rot. Bonds19

About 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 165073247) has the molecular formula C99H121N17O9S and a molecular weight of 1725.23 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID165073247
Molecular FormulaC99H121N17O9S
Molecular Weight1725.23 g/mol
Exact Mass1723.93
IUPAC Name2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ccco4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4cccs4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4cocn4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ncco4)CC3)c2n1
InChIInChI=1S/C21H31N3O2.C20H23N3O2.C20H23N3OS.2C19H22N4O2/c1-4-5-6-13-26-18-9-7-17(8-10-18)23-21(25)19-11-12-24-16(3)14-15(2)22-20(19)24;2*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;1-12-11-13(2)23-9-7-16(17(23)21-12)18(24)22-15-5-3-14(4-6-15)19-20-8-10-25-19;1-12-9-13(2)23-8-7-16(18(23)21-12)19(24)22-15-5-3-14(4-6-15)17-10-25-11-20-17/h11-12,14,17-18H,4-10,13H2,1-3H3,(H,23,25);2*3-4,9-12,15-16H,5-8H2,1-2H3,(H,22,24);2*7-11,14-15H,3-6H2,1-2H3,(H,22,24)
InChIKeyTWNBOWCHMNYZIB-UHFFFAOYSA-N
XLogP19.46
TPSA306.43 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.23
LogP ≤ 519.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 165073247) is 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is CCCCCOC1CCC(NC(=O)c2ccn3c(C)cc(C)nc23)CC1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ccco4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4cccs4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4cocn4)CC3)c2n1.Cc1cc(C)n2ccc(C(=O)NC3CCC(c4ncco4)CC3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is TWNBOWCHMNYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.C20H23N3O2.C20H23N3OS.2C19H22N4O2/c1-4-5-6-13-26-18-9-7-17(8-10-18)23-21(25)19-11-12-24-16(3)14-15(2)22-20(19)24;2*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;1-12-11-13(2)23-9-7-16(17(23)21-12)18(24)22-15-5-3-14(4-6-15)19-20-8-10-25-19;1-12-9-13(2)23-8-7-16(18(23)21-12)19(24)22-15-5-3-14(4-6-15)17-10-25-11-20-17/h11-12,14,17-18H,4-10,13H2,1-3H3,(H,23,25);2*3-4,9-12,15-16H,5-8H2,1-2H3,(H,22,24);2*7-11,14-15H,3-6H2,1-2H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 1725.23 g/mol, XLogP of 19.46, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(1,3-oxazol-2-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-(1,3-oxazol-4-yl)cyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(4-thiophen-2-ylcyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)cyclohexyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 165073247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).