4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine

C10H11N3S — CID 130756454

IUPAC4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine
SMILESCc1ccc(-c2ncc(N)c(C)n2)s1
InChIInChI=1S/C10H11N3S/c1-6-3-4-9(14-6)10-12-5-8(11)7(2)13-10/h3-5H,11H2,1-2H3
InChIKeySXJDTXOUAZVDCI-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.40
Rot. Bonds1

About 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine

4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine (PubChem CID 130756454) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine
PubChem CID130756454
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine
SMILESCc1ccc(-c2ncc(N)c(C)n2)s1
InChIInChI=1S/C10H11N3S/c1-6-3-4-9(14-6)10-12-5-8(11)7(2)13-10/h3-5H,11H2,1-2H3
InChIKeySXJDTXOUAZVDCI-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine (CID 130756454) is 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine is Cc1ccc(-c2ncc(N)c(C)n2)s1.
What is the InChIKey of 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine?
The InChIKey is SXJDTXOUAZVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-3-4-9(14-6)10-12-5-8(11)7(2)13-10/h3-5H,11H2,1-2H3.
What are the key properties of 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine?
4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 130756454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).