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

C20H16N4OS — CID 58974655

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
SMILESCc1cnc(-c2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)s1
InChIInChI=1S/C20H16N4OS/c1-14-13-22-19(26-14)18-11-12-21-20(24-18)23-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23,24)
InChIKeyFNPAXPQEZQSWJY-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.44
Rot. Bonds5

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

4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine (PubChem CID 58974655) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
PubChem CID58974655
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
SMILESCc1cnc(-c2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)s1
InChIInChI=1S/C20H16N4OS/c1-14-13-22-19(26-14)18-11-12-21-20(24-18)23-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23,24)
InChIKeyFNPAXPQEZQSWJY-UHFFFAOYSA-N
XLogP5.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11231940
4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine
CID 134605349
1-[3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 58974639
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
CID 58974828
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 104609503
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
1-[4-[2-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888936

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine (CID 58974655) is 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine is Cc1cnc(-c2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)s1.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine?
The InChIKey is FNPAXPQEZQSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14-13-22-19(26-14)18-11-12-21-20(24-18)23-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23,24).
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine?
4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine has a molecular weight of 360.44 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 58974655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).