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

C17H24N4 — CID 80961089

IUPAC2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-6-21(13-9-7-8-12(2)10-13)15-11-14(18)19-16(20-15)17(3,4)5/h7-11H,6H2,1-5H3,(H2,18,19,20)
InChIKeyZUSAQFPULHZZME-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.82
Rot. Bonds3

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

2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80961089) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80961089
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-6-21(13-9-7-8-12(2)10-13)15-11-14(18)19-16(20-15)17(3,4)5/h7-11H,6H2,1-5H3,(H2,18,19,20)
InChIKeyZUSAQFPULHZZME-UHFFFAOYSA-N
XLogP3.82
TPSA55.04 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771651
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767300
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62768709
4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80934889
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873361
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 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 80961089) is 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CCN(c1cccc(C)c1)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZUSAQFPULHZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-21(13-9-7-8-12(2)10-13)15-11-14(18)19-16(20-15)17(3,4)5/h7-11H,6H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.82, 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-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).