2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H16ClN3O2 — CID 65022275

IUPAC2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O2/c1-16-13-7-10(8-19-2)17-14(18-13)9-4-5-12(20-3)11(15)6-9/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyLOZIEGMMBUQUJK-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.99
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 65022275) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID65022275
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O2/c1-16-13-7-10(8-19-2)17-14(18-13)9-4-5-12(20-3)11(15)6-9/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyLOZIEGMMBUQUJK-UHFFFAOYSA-N
XLogP2.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318946
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63087865
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234
2-(3-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062778
[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 63086854
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318591
6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62318785
2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 106818371
2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79980046
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 65022279

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 65022275) is 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is LOZIEGMMBUQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-16-13-7-10(8-19-2)17-14(18-13)9-4-5-12(20-3)11(15)6-9/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 65022275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).