5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine

C32H52N2 — CID 139601485

IUPAC5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine
SMILESCC(C)CCCCCCCCc1ccc(-c2ncc(CCCCCCCCC(C)C)cn2)cc1
InChIInChI=1S/C32H52N2/c1-27(2)17-13-9-5-7-11-15-19-29-21-23-31(24-22-29)32-33-25-30(26-34-32)20-16-12-8-6-10-14-18-28(3)4/h21-28H,5-20H2,1-4H3
InChIKeyPMMJJOFBLQPIMH-UHFFFAOYSA-N
MW464.78 g/mol
LogP10.00
Rot. Bonds19

About 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine

5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine (PubChem CID 139601485) has the molecular formula C32H52N2 and a molecular weight of 464.78 g/mol. Its IUPAC name is 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine
PubChem CID139601485
Molecular FormulaC32H52N2
Molecular Weight464.78 g/mol
Exact Mass464.41
IUPAC Name5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine
SMILESCC(C)CCCCCCCCc1ccc(-c2ncc(CCCCCCCCC(C)C)cn2)cc1
InChIInChI=1S/C32H52N2/c1-27(2)17-13-9-5-7-11-15-19-29-21-23-31(24-22-29)32-33-25-30(26-34-32)20-16-12-8-6-10-14-18-28(3)4/h21-28H,5-20H2,1-4H3
InChIKeyPMMJJOFBLQPIMH-UHFFFAOYSA-N
XLogP10.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-2-[4-(8-methylnonyl)phenyl]pyrimidine
CID 139626601
2-[4-(6-methylheptyl)phenyl]-5-tridecylpyrimidine
CID 139803505
5-(9-methyldecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803494
5-(8-methylnonyl)-2-(4-nonylphenyl)pyrimidine
CID 139601503
2-(4-hexylphenyl)-5-(9-methyldecyl)pyrimidine
CID 139803492
5-(7-methylnonyl)-2-(4-undecylphenyl)pyrimidine
CID 139803515
2-[4-(8-methyldecyl)phenyl]-5-octylpyrimidine
CID 139803510
5-(9-methylundecyl)-2-(4-tridecylphenyl)pyrimidine
CID 139803508
2-[4-(8-methyldecyl)phenyl]-5-undecylpyrimidine
CID 139803548
2-[4-(9-methylundecyl)phenyl]-5-undecylpyrimidine
CID 139803447
2-[4-(7-methylnonyl)phenyl]-5-tridecylpyrimidine
CID 139803411
5-(9-methylundecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803495

Frequently Asked Questions

What is the IUPAC name of 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine?
The IUPAC name of 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine (CID 139601485) is 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine.
What is the SMILES notation for 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine?
The canonical SMILES for 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine is CC(C)CCCCCCCCc1ccc(-c2ncc(CCCCCCCCC(C)C)cn2)cc1.
What is the InChIKey of 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine?
The InChIKey is PMMJJOFBLQPIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N2/c1-27(2)17-13-9-5-7-11-15-19-29-21-23-31(24-22-29)32-33-25-30(26-34-32)20-16-12-8-6-10-14-18-28(3)4/h21-28H,5-20H2,1-4H3.
What are the key properties of 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine?
5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine has a molecular weight of 464.78 g/mol, XLogP of 10.00, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine is sourced from PubChem (CID 139601485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).