2-heptyl-4-methyl-6-phenoxypyrimidine

C18H24N2O — CID 59545915

IUPAC2-heptyl-4-methyl-6-phenoxypyrimidine
SMILESCCCCCCCc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-3-4-5-6-10-13-17-19-15(2)14-18(20-17)21-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3
InChIKeyQPYBWAIMJUMUMX-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.09
Rot. Bonds8

About 2-heptyl-4-methyl-6-phenoxypyrimidine

2-heptyl-4-methyl-6-phenoxypyrimidine (PubChem CID 59545915) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-heptyl-4-methyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name2-heptyl-4-methyl-6-phenoxypyrimidine
PubChem CID59545915
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-heptyl-4-methyl-6-phenoxypyrimidine
SMILESCCCCCCCc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-3-4-5-6-10-13-17-19-15(2)14-18(20-17)21-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3
InChIKeyQPYBWAIMJUMUMX-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-heptyl-4-methyl-6-phenoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
5-bromo-2-octyl-6-phenoxypyrimidin-4-amine
CID 154106999
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
CID 13302362
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
4-hexyl-2-methylquinoline
CID 12861362
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
4-methyl-6-phenoxy-2-phenylmethoxypyrimidine
CID 19693906
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-4-methyl-6-phenoxypyrimidine?
The IUPAC name of 2-heptyl-4-methyl-6-phenoxypyrimidine (CID 59545915) is 2-heptyl-4-methyl-6-phenoxypyrimidine.
What is the SMILES notation for 2-heptyl-4-methyl-6-phenoxypyrimidine?
The canonical SMILES for 2-heptyl-4-methyl-6-phenoxypyrimidine is CCCCCCCc1nc(C)cc(Oc2ccccc2)n1.
What is the InChIKey of 2-heptyl-4-methyl-6-phenoxypyrimidine?
The InChIKey is QPYBWAIMJUMUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-5-6-10-13-17-19-15(2)14-18(20-17)21-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3.
What are the key properties of 2-heptyl-4-methyl-6-phenoxypyrimidine?
2-heptyl-4-methyl-6-phenoxypyrimidine has a molecular weight of 284.40 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-4-methyl-6-phenoxypyrimidine is sourced from PubChem (CID 59545915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).