6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C14H11ClN4S — CID 115914722

IUPAC6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2nccs2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H11ClN4S/c15-11-8-12(17-9-13-16-6-7-20-13)19-14(18-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18,19)
InChIKeyQTQIWDJMLVBEPU-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.87
Rot. Bonds4

About 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 115914722) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID115914722
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2nccs2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H11ClN4S/c15-11-8-12(17-9-13-16-6-7-20-13)19-14(18-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18,19)
InChIKeyQTQIWDJMLVBEPU-UHFFFAOYSA-N
XLogP3.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole
CID 112559720
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine
CID 115914776
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
CID 112559672
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911687
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 115914722) is 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is Clc1cc(NCc2nccs2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QTQIWDJMLVBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-11-8-12(17-9-13-16-6-7-20-13)19-14(18-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18,19).
What are the key properties of 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 302.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 115914722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).