4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

C16H22N4 — CID 112863770

IUPAC4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC(C)(C)C)ncn2)cc1C
InChIInChI=1S/C16H22N4/c1-11-6-7-13(8-12(11)2)19-14-9-15(18-10-17-14)20-16(3,4)5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyOMYKGGBHXPIZFY-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.05
Rot. Bonds3

About 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112863770) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112863770
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC(C)(C)C)ncn2)cc1C
InChIInChI=1S/C16H22N4/c1-11-6-7-13(8-12(11)2)19-14-9-15(18-10-17-14)20-16(3,4)5/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyOMYKGGBHXPIZFY-UHFFFAOYSA-N
XLogP4.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865260
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
4-N-tert-butyl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112863845
4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112863830
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862591
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112865234
4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112863831
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (CID 112863770) is 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NC(C)(C)C)ncn2)cc1C.
What is the InChIKey of 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is OMYKGGBHXPIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-6-7-13(8-12(11)2)19-14-9-15(18-10-17-14)20-16(3,4)5/h6-10H,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).