5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

C16H22N4 — CID 80755419

IUPAC5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2ccccc2C)c1CC
InChIInChI=1S/C16H22N4/c1-4-10-17-15-13(5-2)16(19-11-18-15)20-14-9-7-6-8-12(14)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyDECANLYAHKYKDM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.91
Rot. Bonds6

About 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80755419) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80755419
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2ccccc2C)c1CC
InChIInChI=1S/C16H22N4/c1-4-10-17-15-13(5-2)16(19-11-18-15)20-14-9-7-6-8-12(14)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyDECANLYAHKYKDM-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647171
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
4-N-(3-bromo-5-methylphenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107580901
4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80738325
5-ethyl-4-N-(3-fluoro-5-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834573
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80755419) is 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2ccccc2C)c1CC.
What is the InChIKey of 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DECANLYAHKYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-10-17-15-13(5-2)16(19-11-18-15)20-14-9-7-6-8-12(14)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80755419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).