6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C16H18ClN3O — CID 80989714

IUPAC6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(OCc2ccccc2Cl)c1C
InChIInChI=1S/C16H18ClN3O/c1-10-14(18-2)19-15(11-7-8-11)20-16(10)21-9-12-5-3-4-6-13(12)17/h3-6,11H,7-9H2,1-2H3,(H,18,19,20)
InChIKeyWFQZJALEHHRASD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.94
Rot. Bonds5

About 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80989714) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80989714
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(OCc2ccccc2Cl)c1C
InChIInChI=1S/C16H18ClN3O/c1-10-14(18-2)19-15(11-7-8-11)20-16(10)21-9-12-5-3-4-6-13(12)17/h3-6,11H,7-9H2,1-2H3,(H,18,19,20)
InChIKeyWFQZJALEHHRASD-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 80989714) is 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(OCc2ccccc2Cl)c1C.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is WFQZJALEHHRASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-14(18-2)19-15(11-7-8-11)20-16(10)21-9-12-5-3-4-6-13(12)17/h3-6,11H,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80989714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).