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

C16H20ClN3O — CID 3025158

IUPAC2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine
SMILESCCN(CC)c1cc(C)nc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyUQUKVMJTVKZVQS-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.86
Rot. Bonds6

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

2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine (PubChem CID 3025158) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine
PubChem CID3025158
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine
SMILESCCN(CC)c1cc(C)nc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyUQUKVMJTVKZVQS-UHFFFAOYSA-N
XLogP3.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine (CID 3025158) is 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine is CCN(CC)c1cc(C)nc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is UQUKVMJTVKZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine?
2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 3025158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).