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

C12H11Cl2N3 — CID 3154202

IUPAC4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(Cl)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2N3/c1-7-10(11(14)17-12(15)16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyOAXALGRMTBXDGH-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.26
Rot. Bonds2

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

4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine (PubChem CID 3154202) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine
PubChem CID3154202
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(Cl)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2N3/c1-7-10(11(14)17-12(15)16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyOAXALGRMTBXDGH-UHFFFAOYSA-N
XLogP3.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine (CID 3154202) is 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine is Cc1nc(N)nc(Cl)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine?
The InChIKey is OAXALGRMTBXDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-7-10(11(14)17-12(15)16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine?
4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine has a molecular weight of 268.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 3154202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).