4-(7-methyltridecan-7-yl)pyrimidine

C18H32N2 — CID 126624853

IUPAC4-(7-methyltridecan-7-yl)pyrimidine
SMILESCCCCCCC(C)(CCCCCC)c1ccncn1
InChIInChI=1S/C18H32N2/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-16-20-17/h12,15-16H,4-11,13-14H2,1-3H3
InChIKeyMIFPSKQHRURDNE-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.68
Rot. Bonds11

About 4-(7-methyltridecan-7-yl)pyrimidine

4-(7-methyltridecan-7-yl)pyrimidine (PubChem CID 126624853) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-(7-methyltridecan-7-yl)pyrimidine.

Molecular Properties

Compound Name4-(7-methyltridecan-7-yl)pyrimidine
PubChem CID126624853
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-(7-methyltridecan-7-yl)pyrimidine
SMILESCCCCCCC(C)(CCCCCC)c1ccncn1
InChIInChI=1S/C18H32N2/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-16-20-17/h12,15-16H,4-11,13-14H2,1-3H3
InChIKeyMIFPSKQHRURDNE-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.68
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

4-(5-methylundecan-5-yl)pyridine
CID 146178387
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
2-dodecyl-2-(5-pyrimidin-4-ylpentyl)propanedioic acid
CID 139782884
2-methyl-2-pyrimidin-4-ylpropanenitrile
CID 130544390
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyltridecan-7-yl)pyrimidine?
The IUPAC name of 4-(7-methyltridecan-7-yl)pyrimidine (CID 126624853) is 4-(7-methyltridecan-7-yl)pyrimidine.
What is the SMILES notation for 4-(7-methyltridecan-7-yl)pyrimidine?
The canonical SMILES for 4-(7-methyltridecan-7-yl)pyrimidine is CCCCCCC(C)(CCCCCC)c1ccncn1.
What is the InChIKey of 4-(7-methyltridecan-7-yl)pyrimidine?
The InChIKey is MIFPSKQHRURDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-16-20-17/h12,15-16H,4-11,13-14H2,1-3H3.
What are the key properties of 4-(7-methyltridecan-7-yl)pyrimidine?
4-(7-methyltridecan-7-yl)pyrimidine has a molecular weight of 276.47 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyltridecan-7-yl)pyrimidine is sourced from PubChem (CID 126624853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).