4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C16H22N4 — CID 80779469

IUPAC4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCCCc1ccc(Nc2ncnc(NC)c2C)cc1
InChIInChI=1S/C16H22N4/c1-4-5-6-13-7-9-14(10-8-13)20-16-12(2)15(17-3)18-11-19-16/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyUQWCYOYVWKWPBT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.91
Rot. Bonds6

About 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80779469) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80779469
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCCCc1ccc(Nc2ncnc(NC)c2C)cc1
InChIInChI=1S/C16H22N4/c1-4-5-6-13-7-9-14(10-8-13)20-16-12(2)15(17-3)18-11-19-16/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyUQWCYOYVWKWPBT-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80772920
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80763247
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
6-N-(4-butylphenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23478495
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80779469) is 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCCCc1ccc(Nc2ncnc(NC)c2C)cc1.
What is the InChIKey of 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is UQWCYOYVWKWPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-5-6-13-7-9-14(10-8-13)20-16-12(2)15(17-3)18-11-19-16/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80779469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).