6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C12H16N6 — CID 63354762

IUPAC6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ncn[nH]2)n1
InChIInChI=1S/C12H16N6/c1-2-5-13-10-6-9(8-3-4-8)16-12(17-10)11-14-7-15-18-11/h6-8H,2-5H2,1H3,(H,13,16,17)(H,14,15,18)
InChIKeyOCKGWWAWZGNAHS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.96
Rot. Bonds5

About 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 63354762) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID63354762
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ncn[nH]2)n1
InChIInChI=1S/C12H16N6/c1-2-5-13-10-6-9(8-3-4-8)16-12(17-10)11-14-7-15-18-11/h6-8H,2-5H2,1H3,(H,13,16,17)(H,14,15,18)
InChIKeyOCKGWWAWZGNAHS-UHFFFAOYSA-N
XLogP1.96
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 63479516
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 63354644
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66164544
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 63354762) is 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2ncn[nH]2)n1.
What is the InChIKey of 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is OCKGWWAWZGNAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-5-13-10-6-9(8-3-4-8)16-12(17-10)11-14-7-15-18-11/h6-8H,2-5H2,1H3,(H,13,16,17)(H,14,15,18).
What are the key properties of 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 63354762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).