2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine

C12H12ClN3O — CID 911402

IUPAC2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-5-11(14)16-12(15-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyLVRXZLORZDYDGT-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.60
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine

2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine (PubChem CID 911402) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine
PubChem CID911402
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-5-11(14)16-12(15-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyLVRXZLORZDYDGT-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine (CID 911402) is 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is LVRXZLORZDYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-5-11(14)16-12(15-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine?
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 911402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).