1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C14H17N5OS — CID 95820412

IUPAC1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1
InChIInChI=1S/C14H17N5OS/c1-9-16-11(12-4-3-6-19(12)10(2)20)8-13(17-9)18-14-15-5-7-21-14/h5,7-8,12H,3-4,6H2,1-2H3,(H,15,16,17,18)/t12-/m1/s1
InChIKeyCMYTYQCNQRGBGS-GFCCVEGCSA-N
MW303.39 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95820412) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID95820412
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1
InChIInChI=1S/C14H17N5OS/c1-9-16-11(12-4-3-6-19(12)10(2)20)8-13(17-9)18-14-15-5-7-21-14/h5,7-8,12H,3-4,6H2,1-2H3,(H,15,16,17,18)/t12-/m1/s1
InChIKeyCMYTYQCNQRGBGS-GFCCVEGCSA-N
XLogP2.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
CID 95844576
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110267168
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
2-amino-1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110089950
N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124944756
2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95832841
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 95820412) is 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1.
What is the InChIKey of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is CMYTYQCNQRGBGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-16-11(12-4-3-6-19(12)10(2)20)8-13(17-9)18-14-15-5-7-21-14/h5,7-8,12H,3-4,6H2,1-2H3,(H,15,16,17,18)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 303.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95820412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).