2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C16H15N3S — CID 3233855

IUPAC2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C16H15N3S/c1-12-5-2-3-7-14(12)16-17-9-8-15(19-16)18-11-13-6-4-10-20-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyKVXMYZOTHFXFFY-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds4

About 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3233855) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3233855
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C16H15N3S/c1-12-5-2-3-7-14(12)16-17-9-8-15(19-16)18-11-13-6-4-10-20-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyKVXMYZOTHFXFFY-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
Aminothiazole 5
CID 5329387
2-Methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
CID 16662932
2-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-pyrimidine
CID 9949655
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
5-methyl-2-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 60167909
2-N-(5-thiophen-3-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768812
5-fluoro-2-N-(5-thiophen-3-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768829
5-methyl-2-N-(5-thiophen-3-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768834
N-methyl-5-phenyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135407408
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3233043

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3233855) is 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Cc1ccccc1-c1nccc(NCc2cccs2)n1.
What is the InChIKey of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is KVXMYZOTHFXFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-12-5-2-3-7-14(12)16-17-9-8-15(19-16)18-11-13-6-4-10-20-13/h2-10H,11H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).