4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C12H18N6 — CID 80957408

IUPAC4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NCc2nccn2C)n1
InChIInChI=1S/C12H18N6/c1-8(2)12-16-9(13)6-10(17-12)15-7-11-14-4-5-18(11)3/h4-6,8H,7H2,1-3H3,(H3,13,15,16,17)
InChIKeyMZHCXBDCHYVMAD-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.53
Rot. Bonds4

About 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957408) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957408
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NCc2nccn2C)n1
InChIInChI=1S/C12H18N6/c1-8(2)12-16-9(13)6-10(17-12)15-7-11-14-4-5-18(11)3/h4-6,8H,7H2,1-3H3,(H3,13,15,16,17)
InChIKeyMZHCXBDCHYVMAD-UHFFFAOYSA-N
XLogP1.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-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

4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957442
6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 114071172
6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952506
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967447
4-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 79175761
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957408) is 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NCc2nccn2C)n1.
What is the InChIKey of 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MZHCXBDCHYVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)12-16-9(13)6-10(17-12)15-7-11-14-4-5-18(11)3/h4-6,8H,7H2,1-3H3,(H3,13,15,16,17).
What are the key properties of 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).