2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine

C12H13N3S — CID 80975062

IUPAC2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1cccs1
InChIInChI=1S/C12H13N3S/c1-7-10(9-3-2-6-16-9)14-12(8-4-5-8)15-11(7)13/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyNOGWVEUBGQIYNE-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.97
Rot. Bonds2

About 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine

2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine (PubChem CID 80975062) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine
PubChem CID80975062
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1cccs1
InChIInChI=1S/C12H13N3S/c1-7-10(9-3-2-6-16-9)14-12(8-4-5-8)15-11(7)13/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyNOGWVEUBGQIYNE-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine (CID 80975062) is 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1-c1cccs1.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is NOGWVEUBGQIYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-7-10(9-3-2-6-16-9)14-12(8-4-5-8)15-11(7)13/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 231.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80975062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).