N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H23N5O2 — CID 146110440

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 146110440) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
• PubChem CID: 146110440
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
• SMILES: Cc1cc(C)n2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)c2n1
• InChI: InChI=1S/C19H23N5O2/c1-12-7-13(2)24-5-3-15(18(24)21-12)19(26)22-16-8-14(9-17(16)25)10-23-6-4-20-11-23/h3-7,11,14,16-17,25H,8-10H2,1-2H3,(H,22,26)/t14?,16-,17-/m1/s1
• InChIKey: FNGMATMBSVEAIE-VNCLPFQGSA-N
• XLogP: 1.72
• TPSA: 84.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 146110440) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)c2n1.

What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The InChIKey is FNGMATMBSVEAIE-VNCLPFQGSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-7-13(2)24-5-3-15(18(24)21-12)19(26)22-16-8-14(9-17(16)25)10-23-6-4-20-11-23/h3-7,11,14,16-17,25H,8-10H2,1-2H3,(H,22,26)/t14?,16-,17-/m1/s1.

What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 146110440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).