2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

C11H13N3S — CID 62786037

IUPAC2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1nccc(NCCc2cccs2)n1
InChIInChI=1S/C11H13N3S/c1-9-12-7-5-11(14-9)13-6-4-10-3-2-8-15-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)
InChIKeyBQPJHYUGKYNAKP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 62786037) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID62786037
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1nccc(NCCc2cccs2)n1
InChIInChI=1S/C11H13N3S/c1-9-12-7-5-11(14-9)13-6-4-10-3-2-8-15-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)
InChIKeyBQPJHYUGKYNAKP-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 62786037) is 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is Cc1nccc(NCCc2cccs2)n1.
What is the InChIKey of 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is BQPJHYUGKYNAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9-12-7-5-11(14-9)13-6-4-10-3-2-8-15-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14).
What are the key properties of 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 62786037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).