6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine

C17H22ClN3 — CID 115504286

IUPAC6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc(C)c(Cl)c2)c1CCC
InChIInChI=1S/C17H22ClN3/c1-4-6-14-16(13-8-7-12(3)15(18)10-13)20-11-21-17(14)19-9-5-2/h7-8,10-11H,4-6,9H2,1-3H3,(H,19,20,21)
InChIKeyYEDPZPJYJFFPKJ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.88
Rot. Bonds6

About 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine

6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 115504286) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
PubChem CID115504286
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc(C)c(Cl)c2)c1CCC
InChIInChI=1S/C17H22ClN3/c1-4-6-14-16(13-8-7-12(3)15(18)10-13)20-11-21-17(14)19-9-5-2/h7-8,10-11H,4-6,9H2,1-3H3,(H,19,20,21)
InChIKeyYEDPZPJYJFFPKJ-UHFFFAOYSA-N
XLogP4.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 79691423
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418
4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324784
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405718
6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 115502718
6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115504536

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine (CID 115504286) is 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(-c2ccc(C)c(Cl)c2)c1CCC.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is YEDPZPJYJFFPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-6-14-16(13-8-7-12(3)15(18)10-13)20-11-21-17(14)19-9-5-2/h7-8,10-11H,4-6,9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 115504286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).