4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine

C10H14N6 — CID 80853223

IUPAC4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-n2cncn2)n1
InChIInChI=1S/C10H14N6/c1-3-4-12-10-14-8(2)5-9(15-10)16-7-11-6-13-16/h5-7H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyOMXZTRVZAWRZKW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.19
Rot. Bonds4

About 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine

4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine (PubChem CID 80853223) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
PubChem CID80853223
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-n2cncn2)n1
InChIInChI=1S/C10H14N6/c1-3-4-12-10-14-8(2)5-9(15-10)16-7-11-6-13-16/h5-7H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyOMXZTRVZAWRZKW-UHFFFAOYSA-N
XLogP1.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
4-imidazol-1-yl-6-methyl-N-propylpyrimidin-2-amine
CID 80854046
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
2-N-(2-methylsulfanylethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80839383
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80766913
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
4-butan-2-ylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887639
4-(3,5-dimethylpiperidin-1-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80766891
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine (CID 80853223) is 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine is CCCNc1nc(C)cc(-n2cncn2)n1.
What is the InChIKey of 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The InChIKey is OMXZTRVZAWRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-4-12-10-14-8(2)5-9(15-10)16-7-11-6-13-16/h5-7H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80853223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).