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

C17H23N3 — CID 80975147

IUPAC2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2cccc(C)c2)c1C
InChIInChI=1S/C17H23N3/c1-5-10-18-17-13(4)16(19-15(6-2)20-17)14-9-7-8-12(3)11-14/h7-9,11H,5-6,10H2,1-4H3,(H,18,19,20)
InChIKeyBAHOMJWPUWKKHQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.14
Rot. Bonds5

About 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine

2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 80975147) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID80975147
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2cccc(C)c2)c1C
InChIInChI=1S/C17H23N3/c1-5-10-18-17-13(4)16(19-15(6-2)20-17)14-9-7-8-12(3)11-14/h7-9,11H,5-6,10H2,1-4H3,(H,18,19,20)
InChIKeyBAHOMJWPUWKKHQ-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,5-dimethyl-6-(3-methylphenyl)pyrimidin-4-amine
CID 80975057
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
6-(2,5-dimethylphenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80977653
2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80978174
6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80970830
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 115502727
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80975562
2-ethyl-5-methyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980584
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine (CID 80975147) is 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(-c2cccc(C)c2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is BAHOMJWPUWKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-10-18-17-13(4)16(19-15(6-2)20-17)14-9-7-8-12(3)11-14/h7-9,11H,5-6,10H2,1-4H3,(H,18,19,20).
What are the key properties of 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine?
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80975147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).