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

C17H23N3O — CID 115915818

IUPACN-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
SMILESCNc1cc(OCCCC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)8-7-11-21-16-12-15(18-3)19-17(20-16)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,18,19,20)
InChIKeyJUKKZSULPIQWBK-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.00
Rot. Bonds7

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

N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine (PubChem CID 115915818) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
PubChem CID115915818
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
SMILESCNc1cc(OCCCC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)8-7-11-21-16-12-15(18-3)19-17(20-16)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,18,19,20)
InChIKeyJUKKZSULPIQWBK-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.00
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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Related Compounds

6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 115915852
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
CID 80858428
2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 103286504

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine (CID 115915818) is N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine is CNc1cc(OCCCC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine?
The InChIKey is JUKKZSULPIQWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)8-7-11-21-16-12-15(18-3)19-17(20-16)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,18,19,20).
What are the key properties of N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine?
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).