1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine

C13H20N6 — CID 66017523

IUPAC1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2ccnc(C)n2)c1N
InChIInChI=1S/C13H20N6/c1-4-5-11-12(14)13(19(3)18-11)16-8-10-6-7-15-9(2)17-10/h6-7,16H,4-5,8,14H2,1-3H3
InChIKeyDMYXOHBVBTYANN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds5

About 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine

1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine (PubChem CID 66017523) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
PubChem CID66017523
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2ccnc(C)n2)c1N
InChIInChI=1S/C13H20N6/c1-4-5-11-12(14)13(19(3)18-11)16-8-10-6-7-15-9(2)17-10/h6-7,16H,4-5,8,14H2,1-3H3
InChIKeyDMYXOHBVBTYANN-UHFFFAOYSA-N
XLogP1.67
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine (CID 66017523) is 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCc2ccnc(C)n2)c1N.
What is the InChIKey of 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
The InChIKey is DMYXOHBVBTYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-5-11-12(14)13(19(3)18-11)16-8-10-6-7-15-9(2)17-10/h6-7,16H,4-5,8,14H2,1-3H3.
What are the key properties of 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).