4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C13H20N6 — CID 80809242

IUPAC4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCn1ccnc1
InChIInChI=1S/C13H20N6/c1-3-4-11-12(14-2)17-9-18-13(11)16-6-8-19-7-5-15-10-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,16,17,18)
InChIKeyXUDHWNQRFOVVTL-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.78
Rot. Bonds7

About 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80809242) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80809242
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCn1ccnc1
InChIInChI=1S/C13H20N6/c1-3-4-11-12(14-2)17-9-18-13(11)16-6-8-19-7-5-15-10-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,16,17,18)
InChIKeyXUDHWNQRFOVVTL-UHFFFAOYSA-N
XLogP1.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-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

5-ethyl-4-N-(2-imidazol-1-ylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80809603
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
CID 80947963
6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80802958

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80809242) is 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCn1ccnc1.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is XUDHWNQRFOVVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-4-11-12(14-2)17-9-18-13(11)16-6-8-19-7-5-15-10-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 260.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).