4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C16H22N4 — CID 112907315

IUPAC4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(NC(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-13-8-6-7-9-14(13)19-15-10-12(4)18-16(20-15)17-11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyMKCYHWLMEYTUNN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.91
Rot. Bonds5

About 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112907315) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112907315
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1cc(C)nc(NC(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-13-8-6-7-9-14(13)19-15-10-12(4)18-16(20-15)17-11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyMKCYHWLMEYTUNN-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916817
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
2-N-(2-ethylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928662
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909147
2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80801480

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112907315) is 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is CCc1ccccc1Nc1cc(C)nc(NC(C)C)n1.
What is the InChIKey of 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is MKCYHWLMEYTUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-13-8-6-7-9-14(13)19-15-10-12(4)18-16(20-15)17-11(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).