[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C15H16N4O — CID 110270750

IUPAC[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccnc(C2CCCN2C(=O)c2cccnc2)n1
InChIInChI=1S/C15H16N4O/c1-11-6-8-17-14(18-11)13-5-3-9-19(13)15(20)12-4-2-7-16-10-12/h2,4,6-8,10,13H,3,5,9H2,1H3
InChIKeyHQPTWZMMJITOFY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds2

About [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110270750) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110270750
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccnc(C2CCCN2C(=O)c2cccnc2)n1
InChIInChI=1S/C15H16N4O/c1-11-6-8-17-14(18-11)13-5-3-9-19(13)15(20)12-4-2-7-16-10-12/h2,4,6-8,10,13H,3,5,9H2,1H3
InChIKeyHQPTWZMMJITOFY-UHFFFAOYSA-N
XLogP2.16
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806803
N,N-diethyl-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249024
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 73439064
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 110270750) is [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is Cc1ccnc(C2CCCN2C(=O)c2cccnc2)n1.
What is the InChIKey of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is HQPTWZMMJITOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-6-8-17-14(18-11)13-5-3-9-19(13)15(20)12-4-2-7-16-10-12/h2,4,6-8,10,13H,3,5,9H2,1H3.
What are the key properties of [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 268.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110270750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).