5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

C13H20N6 — CID 80982724

IUPAC5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCc2cnn(C)c2)n1
InChIInChI=1S/C13H20N6/c1-4-5-11-17-12(14)9(2)13(18-11)15-6-10-7-16-19(3)8-10/h7-8H,4-6H2,1-3H3,(H3,14,15,17,18)
InChIKeyQHWMDIKMSODCHS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds5

About 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80982724) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80982724
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCc2cnn(C)c2)n1
InChIInChI=1S/C13H20N6/c1-4-5-11-17-12(14)9(2)13(18-11)15-6-10-7-16-19(3)8-10/h7-8H,4-6H2,1-3H3,(H3,14,15,17,18)
InChIKeyQHWMDIKMSODCHS-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 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80986185
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80908447
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80983242
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
6-hydrazinyl-5-methyl-N-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 81006835
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 106041480
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80982724) is 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCc2cnn(C)c2)n1.
What is the InChIKey of 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is QHWMDIKMSODCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-5-11-17-12(14)9(2)13(18-11)15-6-10-7-16-19(3)8-10/h7-8H,4-6H2,1-3H3,(H3,14,15,17,18).
What are the key properties of 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-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 5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).