2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C17H24N4 — CID 80967241

IUPAC2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2cccc(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-12-8-7-9-13(10-12)21(6)15-11-14(18-5)19-16(20-15)17(2,3)4/h7-11H,1-6H3,(H,18,19,20)
InChIKeyIRIBHMIHOOZISB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.89
Rot. Bonds3

About 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80967241) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80967241
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2cccc(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-12-8-7-9-13(10-12)21(6)15-11-14(18-5)19-16(20-15)17(2,3)4/h7-11H,1-6H3,(H,18,19,20)
InChIKeyIRIBHMIHOOZISB-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80908545
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80960657
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
N,6-dimethyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 143158755
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80960654
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967150

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 80967241) is 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CNc1cc(N(C)c2cccc(C)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is IRIBHMIHOOZISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-8-7-9-13(10-12)21(6)15-11-14(18-5)19-16(20-15)17(2,3)4/h7-11H,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80967241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).