2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C15H25N7 — CID 6456792

IUPAC2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)(C)C)n2)n1
InChIInChI=1S/C15H25N7/c1-9(2)16-12-17-13(20-15(5,6)7)19-14(18-12)22-11(4)8-10(3)21-22/h8-9H,1-7H3,(H2,16,17,18,19,20)
InChIKeyFPNJRHPYUCWKBW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.70
Rot. Bonds4

About 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 6456792) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID6456792
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)(C)C)n2)n1
InChIInChI=1S/C15H25N7/c1-9(2)16-12-17-13(20-15(5,6)7)19-14(18-12)22-11(4)8-10(3)21-22/h8-9H,1-7H3,(H2,16,17,18,19,20)
InChIKeyFPNJRHPYUCWKBW-UHFFFAOYSA-N
XLogP2.70
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Cyclohexyl-(2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl)amine
CID 909822
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 657722
6-(3,5-Dimethyl-pyrazol-1-yl)-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 655127
2-(3,5-Dimethyl-pyrazol-1-YL)-4,6-dimethyl-pyrimidine
CID 3401968
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
CID 785951
6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 785953
N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazin-3-amine
CID 822855
2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
CID 1871516
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-amine
CID 2356866
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
6-(3,5-Dimethyl-pyrazol-1-yl)-N,N,N',N'-tetramethyl-[1,3,5]triazine-2,4-diamine
CID 767998
2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 879044

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 6456792) is 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)(C)C)n2)n1.
What is the InChIKey of 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FPNJRHPYUCWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-9(2)16-12-17-13(20-15(5,6)7)19-14(18-12)22-11(4)8-10(3)21-22/h8-9H,1-7H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 303.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6456792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).