2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H23N5O2 — CID 121330046

IUPAC2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(Oc4ncccn4)CC3)c2n1
InChIInChI=1S/C20H23N5O2/c1-13-12-14(2)25-11-8-17(18(25)23-13)19(26)24-15-4-6-16(7-5-15)27-20-21-9-3-10-22-20/h3,8-12,15-16H,4-7H2,1-2H3,(H,24,26)
InChIKeySHHQRFFBCFCXOB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.86
Rot. Bonds4

About 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330046) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330046
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC3CCC(Oc4ncccn4)CC3)c2n1
InChIInChI=1S/C20H23N5O2/c1-13-12-14(2)25-11-8-17(18(25)23-13)19(26)24-15-4-6-16(7-5-15)27-20-21-9-3-10-22-20/h3,8-12,15-16H,4-7H2,1-2H3,(H,24,26)
InChIKeySHHQRFFBCFCXOB-UHFFFAOYSA-N
XLogP2.86
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330046) is 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC3CCC(Oc4ncccn4)CC3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is SHHQRFFBCFCXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-12-14(2)25-11-8-17(18(25)23-13)19(26)24-15-4-6-16(7-5-15)27-20-21-9-3-10-22-20/h3,8-12,15-16H,4-7H2,1-2H3,(H,24,26).
What are the key properties of 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).