2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H15Cl2N3O — CID 62319495

IUPAC2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-17-13-6-9(8-20-2)18-14(19-13)7-10-11(15)4-3-5-12(10)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyICSZPRCNULCALP-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.56
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 62319495) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID62319495
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-17-13-6-9(8-20-2)18-14(19-13)7-10-11(15)4-3-5-12(10)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyICSZPRCNULCALP-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 62319495) is 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is ICSZPRCNULCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-17-13-6-9(8-20-2)18-14(19-13)7-10-11(15)4-3-5-12(10)16/h3-6H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62319495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).