6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine

C17H21N3O — CID 115915948

IUPAC6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCNc1cc(OCC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c1-18-15-11-16(21-12-13-7-5-6-8-13)20-17(19-15)14-9-3-2-4-10-14/h2-4,9-11,13H,5-8,12H2,1H3,(H,18,19,20)
InChIKeyIFQIOFMIDLRMRG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.75
Rot. Bonds5

About 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine

6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 115915948) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID115915948
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCNc1cc(OCC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c1-18-15-11-16(21-12-13-7-5-6-8-13)20-17(19-15)14-9-3-2-4-10-14/h2-4,9-11,13H,5-8,12H2,1H3,(H,18,19,20)
InChIKeyIFQIOFMIDLRMRG-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 115915852
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721
(6-cyclohexyloxy-2-phenylpyrimidin-4-yl)hydrazine
CID 115916294

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine (CID 115915948) is 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine is CNc1cc(OCC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is IFQIOFMIDLRMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-15-11-16(21-12-13-7-5-6-8-13)20-17(19-15)14-9-3-2-4-10-14/h2-4,9-11,13H,5-8,12H2,1H3,(H,18,19,20).
What are the key properties of 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine?
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).