1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C16H19N5O — CID 124999663

IUPAC1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](c2ccnc(Nc3ncccc3C)n2)C1
InChIInChI=1S/C16H19N5O/c1-11-4-3-7-17-15(11)20-16-18-8-5-14(19-16)13-6-9-21(10-13)12(2)22/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,17,18,19,20)/t13-/m1/s1
InChIKeyRQHDPWMTPDYGAR-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.26
Rot. Bonds3

About 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124999663) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID124999663
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](c2ccnc(Nc3ncccc3C)n2)C1
InChIInChI=1S/C16H19N5O/c1-11-4-3-7-17-15(11)20-16-18-8-5-14(19-16)13-6-9-21(10-13)12(2)22/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,17,18,19,20)/t13-/m1/s1
InChIKeyRQHDPWMTPDYGAR-CYBMUJFWSA-N
XLogP2.26
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 95828285
4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110089633
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110268414
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 124999663) is 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](c2ccnc(Nc3ncccc3C)n2)C1.
What is the InChIKey of 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is RQHDPWMTPDYGAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-4-3-7-17-15(11)20-16-18-8-5-14(19-16)13-6-9-21(10-13)12(2)22/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,17,18,19,20)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124999663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).