3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one

C21H22N4O2 — CID 25002829

IUPAC3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCC(OCc3ccccc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H22N4O2/c1-24-20(26)13-19(17-7-10-22-11-8-17)23-21(24)25-12-9-18(14-25)27-15-16-5-3-2-4-6-16/h2-8,10-11,13,18H,9,12,14-15H2,1H3
InChIKeyOFCPTAVTOONVIJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.64
Rot. Bonds5

About 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 25002829) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID25002829
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCC(OCc3ccccc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H22N4O2/c1-24-20(26)13-19(17-7-10-22-11-8-17)23-21(24)25-12-9-18(14-25)27-15-16-5-3-2-4-6-16/h2-8,10-11,13,18H,9,12,14-15H2,1H3
InChIKeyOFCPTAVTOONVIJ-UHFFFAOYSA-N
XLogP2.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one (CID 25002829) is 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCC(OCc3ccccc3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is OFCPTAVTOONVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-20(26)13-19(17-7-10-22-11-8-17)23-21(24)25-12-9-18(14-25)27-15-16-5-3-2-4-6-16/h2-8,10-11,13,18H,9,12,14-15H2,1H3.
What are the key properties of 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 362.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25002829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).