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

C12H13N3S — CID 117088125

IUPACN-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CC2)nc(-c2cccs2)n1
InChIInChI=1S/C12H13N3S/c1-8-7-11(14-9-4-5-9)15-12(13-8)10-3-2-6-16-10/h2-3,6-7,9H,4-5H2,1H3,(H,13,14,15)
InChIKeyAMNAIMWISIKHDF-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.09
Rot. Bonds3

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

N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 117088125) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID117088125
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CC2)nc(-c2cccs2)n1
InChIInChI=1S/C12H13N3S/c1-8-7-11(14-9-4-5-9)15-12(13-8)10-3-2-6-16-10/h2-3,6-7,9H,4-5H2,1H3,(H,13,14,15)
InChIKeyAMNAIMWISIKHDF-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine (CID 117088125) is N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine is Cc1cc(NC2CC2)nc(-c2cccs2)n1.
What is the InChIKey of N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is AMNAIMWISIKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-7-11(14-9-4-5-9)15-12(13-8)10-3-2-6-16-10/h2-3,6-7,9H,4-5H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 231.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 117088125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).