N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine

C13H9ClN4S — CID 91806914

IUPACN-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3cncs3)n2)c1
InChIInChI=1S/C13H9ClN4S/c14-9-2-1-3-10(6-9)17-13-16-5-4-11(18-13)12-7-15-8-19-12/h1-8H,(H,16,17,18)
InChIKeyCKKHRSBEQHMGLR-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.00
Rot. Bonds3

About N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 91806914) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID91806914
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC NameN-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3cncs3)n2)c1
InChIInChI=1S/C13H9ClN4S/c14-9-2-1-3-10(6-9)17-13-16-5-4-11(18-13)12-7-15-8-19-12/h1-8H,(H,16,17,18)
InChIKeyCKKHRSBEQHMGLR-UHFFFAOYSA-N
XLogP4.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine
CID 57490549
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylidenehydrazinyl)-4-pyridinyl]pyrimidin-2-amine
CID 142249187
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736892

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine (CID 91806914) is N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine is Clc1cccc(Nc2nccc(-c3cncs3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is CKKHRSBEQHMGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-9-2-1-3-10(6-9)17-13-16-5-4-11(18-13)12-7-15-8-19-12/h1-8H,(H,16,17,18).
What are the key properties of N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 288.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 91806914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).