N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine

C16H21N3O — CID 115915871

IUPACN-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
SMILESCCCCCOc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-4-8-11-20-15-12-14(17-2)18-16(19-15)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyRXLSVAYPVALKBD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds7

About N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine

N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine (PubChem CID 115915871) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
PubChem CID115915871
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
SMILESCCCCCOc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-4-8-11-20-15-12-14(17-2)18-16(19-15)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyRXLSVAYPVALKBD-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
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-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 115915852
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
2-phenyl-4-[4-(2-phenyl-6-propylpyrimidin-4-yl)oxybutoxy]-6-propylpyrimidine
CID 74538841
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
[2-phenyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 115916312
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine (CID 115915871) is N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine is CCCCCOc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine?
The InChIKey is RXLSVAYPVALKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-8-11-20-15-12-14(17-2)18-16(19-15)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine?
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).