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

C16H16N4O2S — CID 154070294

IUPACN-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2nccc(-c3cnc(C)s3)n2)c1
InChIInChI=1S/C16H16N4O2S/c1-10-18-9-15(23-10)12-6-7-17-16(19-12)20-13-8-11(21-2)4-5-14(13)22-3/h4-9H,1-3H3,(H,17,19,20)
InChIKeyUVDIKRYJQOHKNK-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.67
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 154070294) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID154070294
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2nccc(-c3cnc(C)s3)n2)c1
InChIInChI=1S/C16H16N4O2S/c1-10-18-9-15(23-10)12-6-7-17-16(19-12)20-13-8-11(21-2)4-5-14(13)22-3/h4-9H,1-3H3,(H,17,19,20)
InChIKeyUVDIKRYJQOHKNK-UHFFFAOYSA-N
XLogP3.67
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
N-(2,5-dimethoxyphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367858
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887682
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365127
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine (CID 154070294) is N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine is COc1ccc(OC)c(Nc2nccc(-c3cnc(C)s3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is UVDIKRYJQOHKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-18-9-15(23-10)12-6-7-17-16(19-12)20-13-8-11(21-2)4-5-14(13)22-3/h4-9H,1-3H3,(H,17,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 328.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 154070294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).