2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine

C14H16ClN3O — CID 114165599

IUPAC2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(C)nc(Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-10-9-13(18-14(15)17-10)16-8-7-11-5-3-4-6-12(11)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyRMMBDFCVVGVWLO-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.10
Rot. Bonds5

About 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine

2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 114165599) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID114165599
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(C)nc(Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-10-9-13(18-14(15)17-10)16-8-7-11-5-3-4-6-12(11)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyRMMBDFCVVGVWLO-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920981
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920984
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
4-N-(2-chlorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921067
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 133288903
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
2-N-[2-(2-methoxyphenyl)ethyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112921043
4-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921076
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine (CID 114165599) is 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine is COc1ccccc1CCNc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is RMMBDFCVVGVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-9-13(18-14(15)17-10)16-8-7-11-5-3-4-6-12(11)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).