6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine

C16H21N3S — CID 63354644

IUPAC6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2cc(C)sc2C)n1
InChIInChI=1S/C16H21N3S/c1-4-7-17-15-9-14(12-5-6-12)18-16(19-15)13-8-10(2)20-11(13)3/h8-9,12H,4-7H2,1-3H3,(H,17,18,19)
InChIKeySRLGCPYOSBVVOL-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.52
Rot. Bonds5

About 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 63354644) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
PubChem CID63354644
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2cc(C)sc2C)n1
InChIInChI=1S/C16H21N3S/c1-4-7-17-15-9-14(12-5-6-12)18-16(19-15)13-8-10(2)20-11(13)3/h8-9,12H,4-7H2,1-3H3,(H,17,18,19)
InChIKeySRLGCPYOSBVVOL-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine (CID 63354644) is 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2cc(C)sc2C)n1.
What is the InChIKey of 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is SRLGCPYOSBVVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-4-7-17-15-9-14(12-5-6-12)18-16(19-15)13-8-10(2)20-11(13)3/h8-9,12H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63354644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).