2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C18H18N4O — CID 99695577

IUPAC2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc([C@H]2CCCN2c2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C18H18N4O/c1-13-6-4-7-14(19-13)15-8-5-11-21(15)17-12-18(23)22-10-3-2-9-16(22)20-17/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3/t15-/m1/s1
InChIKeyWTZUXTYUQRPSKF-OAHLLOKOSA-N
MW306.37 g/mol
LogP2.74
Rot. Bonds2

About 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 99695577) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID99695577
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc([C@H]2CCCN2c2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C18H18N4O/c1-13-6-4-7-14(19-13)15-8-5-11-21(15)17-12-18(23)22-10-3-2-9-16(22)20-17/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3/t15-/m1/s1
InChIKeyWTZUXTYUQRPSKF-OAHLLOKOSA-N
XLogP2.74
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 99695577) is 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc([C@H]2CCCN2c2cc(=O)n3ccccc3n2)n1.
What is the InChIKey of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTZUXTYUQRPSKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-6-4-7-14(19-13)15-8-5-11-21(15)17-12-18(23)22-10-3-2-9-16(22)20-17/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 99695577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).