4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine

C16H22N4 — CID 80844969

IUPAC4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCCCN(c1ccccc1)c1cc(C)nc(NC)n1
InChIInChI=1S/C16H22N4/c1-4-5-11-20(14-9-7-6-8-10-14)15-12-13(2)18-16(17-3)19-15/h6-10,12H,4-5,11H2,1-3H3,(H,17,18,19)
InChIKeyWDWXSRFLQWWGEF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.76
Rot. Bonds6

About 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine

4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 80844969) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID80844969
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCCCN(c1ccccc1)c1cc(C)nc(NC)n1
InChIInChI=1S/C16H22N4/c1-4-5-11-20(14-9-7-6-8-10-14)15-12-13(2)18-16(17-3)19-15/h6-10,12H,4-5,11H2,1-3H3,(H,17,18,19)
InChIKeyWDWXSRFLQWWGEF-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-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

2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one
CID 136957955
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
4-N-benzyl-6-methyl-4-N-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908038
N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
CID 64586601
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine (CID 80844969) is 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine is CCCCN(c1ccccc1)c1cc(C)nc(NC)n1.
What is the InChIKey of 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is WDWXSRFLQWWGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-5-11-20(14-9-7-6-8-10-14)15-12-13(2)18-16(17-3)19-15/h6-10,12H,4-5,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 80844969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).