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

C14H16ClN3O — CID 1476795

IUPACN-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-17-13(9-19-2)7-14(18-10)16-8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyDNACRKQTJHILLT-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.20
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine (PubChem CID 1476795) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
PubChem CID1476795
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-17-13(9-19-2)7-14(18-10)16-8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyDNACRKQTJHILLT-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine (CID 1476795) is N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine is COCc1cc(NCc2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine?
The InChIKey is DNACRKQTJHILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-17-13(9-19-2)7-14(18-10)16-8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 1476795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).