2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one

C13H15N5O — CID 136697556

IUPAC2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN2c2cnccn2)cc(=O)[nH]1
InChIInChI=1S/C13H15N5O/c1-9-16-10(7-13(19)17-9)11-3-2-6-18(11)12-8-14-4-5-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17,19)/t11-/m0/s1
InChIKeyOTBUAIULPZRDQF-NSHDSACASA-N
MW257.30 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one

2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136697556) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136697556
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN2c2cnccn2)cc(=O)[nH]1
InChIInChI=1S/C13H15N5O/c1-9-16-10(7-13(19)17-9)11-3-2-6-18(11)12-8-14-4-5-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17,19)/t11-/m0/s1
InChIKeyOTBUAIULPZRDQF-NSHDSACASA-N
XLogP1.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-6-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124979116
2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 167978249
2-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazine
CID 110269258
N,N,2-trimethyl-6-(1-pyrazin-2-ylpyrrolidin-2-yl)pyridin-4-amine
CID 110254084
N,N,2-trimethyl-6-[(2R)-1-pyrazin-2-ylpyrrolidin-2-yl]pyridin-4-amine
CID 95816920
N,N,2-trimethyl-6-(1-pyrazin-2-ylpiperidin-2-yl)pyrimidin-4-amine
CID 110256934
2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136804068
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 146038047
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine
CID 110253689
2-methyl-6-[(2R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95842593
N-pyrazin-2-yl-3-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazin-2-amine
CID 127244984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136697556) is 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2CCCN2c2cnccn2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is OTBUAIULPZRDQF-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-16-10(7-13(19)17-9)11-3-2-6-18(11)12-8-14-4-5-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 257.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136697556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).