2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine

C11H13N3S — CID 79991553

IUPAC2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-c2sccc2C)n1
InChIInChI=1S/C11H13N3S/c1-6-4-5-15-10(6)9-7(2)11(12)14-8(3)13-9/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyFZKFDCHFAAUFTB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.71
Rot. Bonds1

About 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine

2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 79991553) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID79991553
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-c2sccc2C)n1
InChIInChI=1S/C11H13N3S/c1-6-4-5-15-10(6)9-7(2)11(12)14-8(3)13-9/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyFZKFDCHFAAUFTB-UHFFFAOYSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine (CID 79991553) is 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine is Cc1nc(N)c(C)c(-c2sccc2C)n1.
What is the InChIKey of 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is FZKFDCHFAAUFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-6-4-5-15-10(6)9-7(2)11(12)14-8(3)13-9/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine?
2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79991553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).