4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

C12H22N4 — CID 80993107

IUPAC4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H22N4/c1-6-7-16(5)12-9(4)10(13)14-11(15-12)8(2)3/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyCMKYDZZQJCLYKA-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.34
Rot. Bonds4

About 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80993107) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80993107
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H22N4/c1-6-7-16(5)12-9(4)10(13)14-11(15-12)8(2)3/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyCMKYDZZQJCLYKA-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,5-dimethyl-2-propan-2-yl-4-N-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

4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052
2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80994196
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983692
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (CID 80993107) is 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is CCCN(C)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is CMKYDZZQJCLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-7-16(5)12-9(4)10(13)14-11(15-12)8(2)3/h8H,6-7H2,1-5H3,(H2,13,14,15).
What are the key properties of 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).