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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Related Compounds

4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 44400947
N-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 44401087
4-Chloro-6-[(2-chlorophenyl)methoxy]pyrimidine
CID 61278755
5-(4-Chlorophenyl)-6-ethoxypyrimidine-2,4-diamine
CID 317249
6-[(2-chloro-4-fluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
CID 59003831
6-[(2-Chloro-4-fluorophenyl)methoxy]-5-(methoxyiminomethyl)pyrimidin-4-amine
CID 72486654
6-[(2-chloro-4-fluorophenyl)methoxy]-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine
CID 87390531
4-Chloro-5-fluoro-6-[(4-methylphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine
CID 129197970
4-[(4-Chloro-2-fluorophenyl)methoxy]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
CID 152298481
4-[(4-Chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine
CID 170428061
4-[(4-Chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)-5-fluoropyrimidine
CID 175832434

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).