trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C20H24N6O — CID 167847437

About trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167847437) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
• PubChem CID: 167847437
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
• SMILES: CCc1cc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)nc(-c2ccncc2)n1
• InChI: InChI=1S/C20H24N6O/c1-2-16-11-19(25-20(23-16)15-3-5-21-6-4-15)24-17-9-14(10-18(17)27)12-26-8-7-22-13-26/h3-8,11,13-14,17-18,27H,2,9-10,12H2,1H3,(H,23,24,25)/t14?,17-,18-/m1/s1
• InChIKey: MDNLYUCXKWDHBI-KNHHTTPFSA-N
• XLogP: 2.55
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 167847437) is trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is CCc1cc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)nc(-c2ccncc2)n1.

What is the InChIKey of trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?

The InChIKey is MDNLYUCXKWDHBI-KNHHTTPFSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-16-11-19(25-20(23-16)15-3-5-21-6-4-15)24-17-9-14(10-18(17)27)12-26-8-7-22-13-26/h3-8,11,13-14,17-18,27H,2,9-10,12H2,1H3,(H,23,24,25)/t14?,17-,18-/m1/s1.

What are the key properties of trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?

trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 364.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).