2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine

C15H18ClN3 — CID 63561739

IUPAC2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2)nc(CC)c1C
InChIInChI=1S/C15H18ClN3/c1-4-13-10(3)14(17-5-2)19-15(18-13)11-7-6-8-12(16)9-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyZJIRRTDKPDQNES-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine

2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine (PubChem CID 63561739) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
PubChem CID63561739
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2)nc(CC)c1C
InChIInChI=1S/C15H18ClN3/c1-4-13-10(3)14(17-5-2)19-15(18-13)11-7-6-8-12(16)9-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyZJIRRTDKPDQNES-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 66307616
N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 63561391
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine (CID 63561739) is 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(-c2cccc(Cl)c2)nc(CC)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is ZJIRRTDKPDQNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-13-10(3)14(17-5-2)19-15(18-13)11-7-6-8-12(16)9-11/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63561739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).