4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine

C20H18N4OS — CID 71175270

IUPAC4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccccc2)cc1Nc1nccc(C2=NCCS2)n1
InChIInChI=1S/C20H18N4OS/c1-25-18-8-7-15(14-5-3-2-4-6-14)13-17(18)24-20-22-10-9-16(23-20)19-21-11-12-26-19/h2-10,13H,11-12H2,1H3,(H,22,23,24)
InChIKeyVXHQOWFFJYDJEY-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.39
Rot. Bonds5

About 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine

4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine (PubChem CID 71175270) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine
PubChem CID71175270
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccccc2)cc1Nc1nccc(C2=NCCS2)n1
InChIInChI=1S/C20H18N4OS/c1-25-18-8-7-15(14-5-3-2-4-6-14)13-17(18)24-20-22-10-9-16(23-20)19-21-11-12-26-19/h2-10,13H,11-12H2,1H3,(H,22,23,24)
InChIKeyVXHQOWFFJYDJEY-UHFFFAOYSA-N
XLogP4.39
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 69019170
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 154070294
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
[3-[2-(2-methoxyanilino)pyrimidin-4-yl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-5-yl]methanol
CID 157192550
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 68776460
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888006
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine (CID 71175270) is 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine is COc1ccc(-c2ccccc2)cc1Nc1nccc(C2=NCCS2)n1.
What is the InChIKey of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine?
The InChIKey is VXHQOWFFJYDJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-25-18-8-7-15(14-5-3-2-4-6-14)13-17(18)24-20-22-10-9-16(23-20)19-21-11-12-26-19/h2-10,13H,11-12H2,1H3,(H,22,23,24).
What are the key properties of 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine?
4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine has a molecular weight of 362.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-methoxy-5-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 71175270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).