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

C16H22N4 — CID 80955477

IUPAC2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
SMILESCCc1cccc(Nc2cc(N)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C16H22N4/c1-5-11-7-6-8-12(9-11)18-14-10-13(17)19-15(20-14)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyIJJKBMSKKSVACW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.66
Rot. Bonds3

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

2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine (PubChem CID 80955477) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
PubChem CID80955477
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
SMILESCCc1cccc(Nc2cc(N)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C16H22N4/c1-5-11-7-6-8-12(9-11)18-14-10-13(17)19-15(20-14)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyIJJKBMSKKSVACW-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 80955700
2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80958392
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
6-(3-ethylanilino)pyridine-2-carbothioamide
CID 64588428
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
N-(3-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927434
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
CID 107801962
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
N-(3-ethylphenyl)-6-methoxy-4-methylpyridin-2-amine
CID 20714452
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine (CID 80955477) is 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine is CCc1cccc(Nc2cc(N)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is IJJKBMSKKSVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-11-7-6-8-12(9-11)18-14-10-13(17)19-15(20-14)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80955477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).