N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine

C16H15N3S — CID 15653050

IUPACN-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C16H15N3S/c1-11-7-12(2)9-14(8-11)18-16-17-5-3-15(19-16)13-4-6-20-10-13/h3-10H,1-2H3,(H,17,18,19)
InChIKeyIQSVVNQSBQDJHW-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.57
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine (PubChem CID 15653050) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
PubChem CID15653050
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C16H15N3S/c1-11-7-12(2)9-14(8-11)18-16-17-5-3-15(19-16)13-4-6-20-10-13/h3-10H,1-2H3,(H,17,18,19)
InChIKeyIQSVVNQSBQDJHW-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 58974728
4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11209142
2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]acetonitrile
CID 11163018
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58974646
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine (CID 15653050) is N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ccsc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is IQSVVNQSBQDJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-7-12(2)9-14(8-11)18-16-17-5-3-15(19-16)13-4-6-20-10-13/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 15653050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).