3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one

C15H17BrN4O — CID 123588912

IUPAC3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one
SMILESCc1ncc(Br)c(Nc2cccn(C3CCCC3)c2=O)n1
InChIInChI=1S/C15H17BrN4O/c1-10-17-9-12(16)14(18-10)19-13-7-4-8-20(15(13)21)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18,19)
InChIKeyAQYRKGMGBVSZDQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.57
Rot. Bonds3

About 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one

3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one (PubChem CID 123588912) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one
PubChem CID123588912
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one
SMILESCc1ncc(Br)c(Nc2cccn(C3CCCC3)c2=O)n1
InChIInChI=1S/C15H17BrN4O/c1-10-17-9-12(16)14(18-10)19-13-7-4-8-20(15(13)21)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18,19)
InChIKeyAQYRKGMGBVSZDQ-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9669031, 6 6'-(pyrimidin-4-ylamino)-1'H-spiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'(2'H)-dione (Cpd. No. 6)
CID 118598599
1-[2-[(5-Bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one
CID 75482157
1-[(4-Aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one
CID 100666691
(R)-3-(5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-ylamino)pyridin-2(1H)-one
CID 71245036
3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one
CID 71245037
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-1-propan-2-ylpyridin-2-one
CID 90225304
3-[[2-[4-[4-(Dimethylamino)piperidin-1-yl]hexa-2,4-dienylamino]-5-fluoropyrimidin-4-yl]amino]-1-propan-2-ylpyridin-2-one
CID 123236241
3-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]-1-propan-2-ylpyridin-2-one
CID 144643403
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 128993931
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 47048563
5-Bromo-3-(pyrimidin-4-ylamino)pyridin-2(1H)-one
CID 58044075
5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2(1H)-one
CID 58044094

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one?
The IUPAC name of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one (CID 123588912) is 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one?
The canonical SMILES for 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one is Cc1ncc(Br)c(Nc2cccn(C3CCCC3)c2=O)n1.
What is the InChIKey of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one?
The InChIKey is AQYRKGMGBVSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-17-9-12(16)14(18-10)19-13-7-4-8-20(15(13)21)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18,19).
What are the key properties of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one?
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one has a molecular weight of 349.23 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 123588912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).