N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine

C15H18ClN3O — CID 133390142

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-11-9-12(2)19-15(18-11)17-7-8-20-10-13-3-5-14(16)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyLRESMANJZPLDHE-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.38
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 133390142) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID133390142
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCCOCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-11-9-12(2)19-15(18-11)17-7-8-20-10-13-3-5-14(16)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyLRESMANJZPLDHE-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine (CID 133390142) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCCOCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is LRESMANJZPLDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-9-12(2)19-15(18-11)17-7-8-20-10-13-3-5-14(16)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133390142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).