2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C16H20ClN3O — CID 106818371

IUPAC2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-7-18-15-9-13(10-21-3)19-16(20-15)12-6-5-11(2)14(17)8-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20)
InChIKeyJEOSVUOBXYENNV-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.07
Rot. Bonds6

About 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 106818371) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID106818371
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-7-18-15-9-13(10-21-3)19-16(20-15)12-6-5-11(2)14(17)8-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20)
InChIKeyJEOSVUOBXYENNV-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 106818371) is 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(-c2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is JEOSVUOBXYENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-7-18-15-9-13(10-21-3)19-16(20-15)12-6-5-11(2)14(17)8-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106818371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).