5-chloro-N-(7-methyloctyl)pyrimidin-2-amine

C13H22ClN3 — CID 107816307

IUPAC5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
SMILESCC(C)CCCCCCNc1ncc(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-11(2)7-5-3-4-6-8-15-13-16-9-12(14)10-17-13/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyMXOGSKUMAMPNAC-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.15
Rot. Bonds8

About 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine

5-chloro-N-(7-methyloctyl)pyrimidin-2-amine (PubChem CID 107816307) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
PubChem CID107816307
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
SMILESCC(C)CCCCCCNc1ncc(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-11(2)7-5-3-4-6-8-15-13-16-9-12(14)10-17-13/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyMXOGSKUMAMPNAC-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
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-N-(7-methyloctyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine (CID 107816307) is 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine is CC(C)CCCCCCNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine?
The InChIKey is MXOGSKUMAMPNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-11(2)7-5-3-4-6-8-15-13-16-9-12(14)10-17-13/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine?
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-methyloctyl)pyrimidin-2-amine is sourced from PubChem (CID 107816307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).