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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Related Compounds

2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine
CID 80977406
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 80975439
2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80985188
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 103434518
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82437425
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 81000587
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930

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).