4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine

C13H14ClN3O — CID 919161

IUPAC4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(Cc2c(C)nc(N)nc2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-8-11(12(14)17-13(15)16-8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyRADGYDQYKGFPSQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine

4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine (PubChem CID 919161) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
PubChem CID919161
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(Cc2c(C)nc(N)nc2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-8-11(12(14)17-13(15)16-8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyRADGYDQYKGFPSQ-UHFFFAOYSA-N
XLogP2.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine (CID 919161) is 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine is COc1ccc(Cc2c(C)nc(N)nc2Cl)cc1.
What is the InChIKey of 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
The InChIKey is RADGYDQYKGFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-11(12(14)17-13(15)16-8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 919161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).