2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C13H19N7 — CID 80838670

IUPAC2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CC2CC2C)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-9-7-10(9)8-19(3)12-16-11(14-2)17-13(18-12)20-6-4-5-15-20/h4-6,9-10H,7-8H2,1-3H3,(H,14,16,17,18)
InChIKeyQYDBFPBOGVDQCG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.19
Rot. Bonds5

About 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80838670) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80838670
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CC2CC2C)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7/c1-9-7-10(9)8-19(3)12-16-11(14-2)17-13(18-12)20-6-4-5-15-20/h4-6,9-10H,7-8H2,1-3H3,(H,14,16,17,18)
InChIKeyQYDBFPBOGVDQCG-UHFFFAOYSA-N
XLogP1.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086
2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80750664
3-[cyclopropyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80787361
4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80838670) is 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)CC2CC2C)nc(-n2cccn2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QYDBFPBOGVDQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-9-7-10(9)8-19(3)12-16-11(14-2)17-13(18-12)20-6-4-5-15-20/h4-6,9-10H,7-8H2,1-3H3,(H,14,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).