1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one

C14H17N5OS — CID 95844576

IUPAC1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H]1c1cc(Nc2nccs2)nc(C)n1
InChIInChI=1S/C14H17N5OS/c1-3-13(20)19-6-4-11(19)10-8-12(17-9(2)16-10)18-14-15-5-7-21-14/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,16,17,18)/t11-/m1/s1
InChIKeyLOAFAHMXGCLEHM-LLVKDONJSA-N
MW303.39 g/mol
LogP2.67
Rot. Bonds4

About 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one

1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one (PubChem CID 95844576) 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]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
PubChem CID95844576
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]azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H]1c1cc(Nc2nccs2)nc(C)n1
InChIInChI=1S/C14H17N5OS/c1-3-13(20)19-6-4-11(19)10-8-12(17-9(2)16-10)18-14-15-5-7-21-14/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,16,17,18)/t11-/m1/s1
InChIKeyLOAFAHMXGCLEHM-LLVKDONJSA-N
XLogP2.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110270468
N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987053
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
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one (CID 95844576) is 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one is CCC(=O)N1CC[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]azetidin-1-yl]propan-1-one?
The InChIKey is LOAFAHMXGCLEHM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-3-13(20)19-6-4-11(19)10-8-12(17-9(2)16-10)18-14-15-5-7-21-14/h5,7-8,11H,3-4,6H2,1-2H3,(H,15,16,17,18)/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one?
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one has a molecular weight of 303.39 g/mol, XLogP of 2.67, 4 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]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 95844576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).