5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine

C14H23ClN2 — CID 146377317

IUPAC5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1ncnc(C)c1Cl
InChIInChI=1S/C14H23ClN2/c1-5-7-8-9-14(4,6-2)13-12(15)11(3)16-10-17-13/h10H,5-9H2,1-4H3
InChIKeyAUXZSOUYCSXPPH-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.69
Rot. Bonds6

About 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine

5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine (PubChem CID 146377317) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
PubChem CID146377317
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1ncnc(C)c1Cl
InChIInChI=1S/C14H23ClN2/c1-5-7-8-9-14(4,6-2)13-12(15)11(3)16-10-17-13/h10H,5-9H2,1-4H3
InChIKeyAUXZSOUYCSXPPH-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.69
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-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
CID 146377305
4,5-difluoro-6-(3-methyloctan-3-yl)pyrimidine
CID 146377311
2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
CID 146376749
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
3-(3-methylnonan-3-yl)-1,2,4-thiadiazole
CID 166645014
3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
CID 134415262
5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
CID 139524806
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
5-chloro-1-methyl-4-(6-methyldodecan-6-yl)triazole
CID 146377942

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
The IUPAC name of 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine (CID 146377317) is 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
The canonical SMILES for 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine is CCCCCC(C)(CC)c1ncnc(C)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
The InChIKey is AUXZSOUYCSXPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-7-8-9-14(4,6-2)13-12(15)11(3)16-10-17-13/h10H,5-9H2,1-4H3.
What are the key properties of 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine has a molecular weight of 254.80 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine is sourced from PubChem (CID 146377317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).