N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

C16H16N6S — CID 110270468

IUPACN-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCN2c2cccnc2)n1
InChIInChI=1S/C16H16N6S/c1-11-19-13(9-15(20-11)21-16-18-6-8-23-16)14-4-7-22(14)12-3-2-5-17-10-12/h2-3,5-6,8-10,14H,4,7H2,1H3,(H,18,19,20,21)
InChIKeyQPVNEUIDTSDPGG-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.33
Rot. Bonds4

About N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 110270468) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID110270468
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC NameN-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCN2c2cccnc2)n1
InChIInChI=1S/C16H16N6S/c1-11-19-13(9-15(20-11)21-16-18-6-8-23-16)14-4-7-22(14)12-3-2-5-17-10-12/h2-3,5-6,8-10,14H,4,7H2,1H3,(H,18,19,20,21)
InChIKeyQPVNEUIDTSDPGG-UHFFFAOYSA-N
XLogP3.33
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
CID 95844576
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155985361
(E)-1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 132765889
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-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
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-methyl-N-(3-methyl-2-pyridinyl)-6-[1-(2-methylpyrimidin-4-yl)azetidin-2-yl]pyrimidin-4-amine
CID 110270296

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 110270468) is N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc(C2CCN2c2cccnc2)n1.
What is the InChIKey of N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is QPVNEUIDTSDPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-11-19-13(9-15(20-11)21-16-18-6-8-23-16)14-4-7-22(14)12-3-2-5-17-10-12/h2-3,5-6,8-10,14H,4,7H2,1H3,(H,18,19,20,21).
What are the key properties of N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 324.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110270468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).