2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine

C20H28N2O — CID 173328271

IUPAC2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine
SMILESCC[C@H](C)CCCCCCOc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C20H28N2O/c1-3-17(2)11-7-4-5-10-14-23-20-21-15-19(16-22-20)18-12-8-6-9-13-18/h6,8-9,12-13,15-17H,3-5,7,10-11,14H2,1-2H3/t17-/m0/s1
InChIKeyAJUTWZITZBVSBT-KRWDZBQOSA-N
MW312.46 g/mol
LogP5.52
Rot. Bonds10

About 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine

2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine (PubChem CID 173328271) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine.

Molecular Properties

Compound Name2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine
PubChem CID173328271
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine
SMILESCC[C@H](C)CCCCCCOc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C20H28N2O/c1-3-17(2)11-7-4-5-10-14-23-20-21-15-19(16-22-20)18-12-8-6-9-13-18/h6,8-9,12-13,15-17H,3-5,7,10-11,14H2,1-2H3/t17-/m0/s1
InChIKeyAJUTWZITZBVSBT-KRWDZBQOSA-N
XLogP5.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-methyldodecoxybenzene
CID 143389992
5-[4-(7-methyloctoxy)phenyl]-2-nonoxypyrimidine
CID 67864487
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503
5-(4-decoxyphenyl)-2-[(5R)-5-fluoroheptoxy]pyrimidine
CID 101074691
6-methyloctyl benzenesulfonate
CID 139642422
5-[4-[(2R,3R)-2,3-difluorohexoxy]phenyl]-2-octoxypyrimidine
CID 18658272
5-[4-(6-methyloctyl)phenyl]-2-(4-non-8-enoxyphenyl)pyrimidine
CID 19834814
5-(8-methyldecoxy)-2-(4-octoxyphenyl)pyrimidine
CID 14496398
5-(6-methyloctoxy)-2-(4-octoxyphenyl)pyrimidine
CID 19869285
5-methylheptylbenzene
CID 564254
5-[(8S)-8-methyldecoxy]-2-[4-(4-nonylphenyl)phenyl]pyrimidine
CID 54351255

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine?
The IUPAC name of 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine (CID 173328271) is 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine.
What is the SMILES notation for 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine?
The canonical SMILES for 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine is CC[C@H](C)CCCCCCOc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine?
The InChIKey is AJUTWZITZBVSBT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-17(2)11-7-4-5-10-14-23-20-21-15-19(16-22-20)18-12-8-6-9-13-18/h6,8-9,12-13,15-17H,3-5,7,10-11,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine?
2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine has a molecular weight of 312.46 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine is sourced from PubChem (CID 173328271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).