4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

C16H22N4 — CID 112855351

IUPAC4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(NCC(C)C)ncn2)cc1
InChIInChI=1S/C16H22N4/c1-4-13-5-7-14(8-6-13)20-16-9-15(18-11-19-16)17-10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyIRZWTLPAIKQYAZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds6

About 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855351) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855351
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(NCC(C)C)ncn2)cc1
InChIInChI=1S/C16H22N4/c1-4-13-5-7-14(8-6-13)20-16-9-15(18-11-19-16)17-10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyIRZWTLPAIKQYAZ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 174295030
4-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865429
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
5-N-(4-ethylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940558
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855351) is 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is CCc1ccc(Nc2cc(NCC(C)C)ncn2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is IRZWTLPAIKQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-13-5-7-14(8-6-13)20-16-9-15(18-11-19-16)17-10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).