6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine

C16H20ClN3 — CID 115504253

IUPAC6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc(C)c(Cl)c2)c1CC
InChIInChI=1S/C16H20ClN3/c1-4-8-18-16-13(5-2)15(19-10-20-16)12-7-6-11(3)14(17)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyLDLSGFXPIXNXBQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds5

About 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine

6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 115504253) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID115504253
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc(C)c(Cl)c2)c1CC
InChIInChI=1S/C16H20ClN3/c1-4-8-18-16-13(5-2)15(19-10-20-16)12-7-6-11(3)14(17)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyLDLSGFXPIXNXBQ-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
CID 114879384
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 115502718
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755419
6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 79691423
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine (CID 115504253) is 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2ccc(C)c(Cl)c2)c1CC.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is LDLSGFXPIXNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-8-18-16-13(5-2)15(19-10-20-16)12-7-6-11(3)14(17)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine?
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.49, 5 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)-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115504253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).