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

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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).