2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine

C15H19N3S — CID 102838352

IUPAC2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccsc2C)nc(C2CC2)n1
InChIInChI=1S/C15H19N3S/c1-3-7-16-14-9-13(12-6-8-19-10(12)2)17-15(18-14)11-4-5-11/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyHKAXPBWWHPEIAM-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.21
Rot. Bonds5

About 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 102838352) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
PubChem CID102838352
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccsc2C)nc(C2CC2)n1
InChIInChI=1S/C15H19N3S/c1-3-7-16-14-9-13(12-6-8-19-10(12)2)17-15(18-14)11-4-5-11/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyHKAXPBWWHPEIAM-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
2-(methoxymethyl)-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838411
6-(2-methylthiophen-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102838356
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
6-(2-methylthiophen-3-yl)-N-propylpyridin-2-amine
CID 102838364
2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 80948713
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80967847

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine (CID 102838352) is 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccsc2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is HKAXPBWWHPEIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-7-16-14-9-13(12-6-8-19-10(12)2)17-15(18-14)11-4-5-11/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102838352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).