4-(3-methylthiophen-2-yl)pyrimidin-2-amine

C9H9N3S — CID 1472776

IUPAC4-(3-methylthiophen-2-yl)pyrimidin-2-amine
SMILESCc1ccsc1-c1ccnc(N)n1
InChIInChI=1S/C9H9N3S/c1-6-3-5-13-8(6)7-2-4-11-9(10)12-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyFQQZSGNHBBJFAY-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.10
Rot. Bonds1

About 4-(3-methylthiophen-2-yl)pyrimidin-2-amine

4-(3-methylthiophen-2-yl)pyrimidin-2-amine (PubChem CID 1472776) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)pyrimidin-2-amine
PubChem CID1472776
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name4-(3-methylthiophen-2-yl)pyrimidin-2-amine
SMILESCc1ccsc1-c1ccnc(N)n1
InChIInChI=1S/C9H9N3S/c1-6-3-5-13-8(6)7-2-4-11-9(10)12-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyFQQZSGNHBBJFAY-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylthiophen-2-yl)pyrimidin-2-amine (CID 1472776) is 4-(3-methylthiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylthiophen-2-yl)pyrimidin-2-amine is Cc1ccsc1-c1ccnc(N)n1.
What is the InChIKey of 4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
The InChIKey is FQQZSGNHBBJFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-3-5-13-8(6)7-2-4-11-9(10)12-7/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
4-(3-methylthiophen-2-yl)pyrimidin-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 1472776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).