4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine

C15H20N4 — CID 80761889

IUPAC4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cccc(CC)c2)n1
InChIInChI=1S/C15H20N4/c1-3-9-16-15-17-10-8-14(19-15)18-13-7-5-6-12(4-2)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyOMVHDQFOXNSQOP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.60
Rot. Bonds6

About 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80761889) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80761889
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cccc(CC)c2)n1
InChIInChI=1S/C15H20N4/c1-3-9-16-15-17-10-8-14(19-15)18-13-7-5-6-12(4-2)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyOMVHDQFOXNSQOP-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112901452
3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol
CID 123833120
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80761889) is 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2cccc(CC)c2)n1.
What is the InChIKey of 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is OMVHDQFOXNSQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-9-16-15-17-10-8-14(19-15)18-13-7-5-6-12(4-2)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).