5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine

C14H23ClN2O — CID 146377325

IUPAC5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1nc(OC)ncc1Cl
InChIInChI=1S/C14H23ClN2O/c1-5-7-8-9-14(3,6-2)12-11(15)10-16-13(17-12)18-4/h10H,5-9H2,1-4H3
InChIKeyYHATWNPPGFBMMZ-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.39
Rot. Bonds7

About 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine

5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine (PubChem CID 146377325) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
PubChem CID146377325
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1nc(OC)ncc1Cl
InChIInChI=1S/C14H23ClN2O/c1-5-7-8-9-14(3,6-2)12-11(15)10-16-13(17-12)18-4/h10H,5-9H2,1-4H3
InChIKeyYHATWNPPGFBMMZ-UHFFFAOYSA-N
XLogP4.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
The IUPAC name of 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine (CID 146377325) is 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine is CCCCCC(C)(CC)c1nc(OC)ncc1Cl.
What is the InChIKey of 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
The InChIKey is YHATWNPPGFBMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-7-8-9-14(3,6-2)12-11(15)10-16-13(17-12)18-4/h10H,5-9H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine has a molecular weight of 270.80 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine is sourced from PubChem (CID 146377325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).