5-chloro-N-decyl-6-methoxypyrimidin-4-amine

C15H26ClN3O — CID 22911316

IUPAC5-chloro-N-decyl-6-methoxypyrimidin-4-amine
SMILESCCCCCCCCCCNc1ncnc(OC)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-3-4-5-6-7-8-9-10-11-17-14-13(16)15(20-2)19-12-18-14/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyOWUJMQQBBDJBRQ-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.69
Rot. Bonds11

About 5-chloro-N-decyl-6-methoxypyrimidin-4-amine

5-chloro-N-decyl-6-methoxypyrimidin-4-amine (PubChem CID 22911316) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 5-chloro-N-decyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-decyl-6-methoxypyrimidin-4-amine
PubChem CID22911316
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name5-chloro-N-decyl-6-methoxypyrimidin-4-amine
SMILESCCCCCCCCCCNc1ncnc(OC)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-3-4-5-6-7-8-9-10-11-17-14-13(16)15(20-2)19-12-18-14/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyOWUJMQQBBDJBRQ-UHFFFAOYSA-N
XLogP4.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-decyl-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-decyl-6-methoxypyrimidin-4-amine (CID 22911316) is 5-chloro-N-decyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-decyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-decyl-6-methoxypyrimidin-4-amine is CCCCCCCCCCNc1ncnc(OC)c1Cl.
What is the InChIKey of 5-chloro-N-decyl-6-methoxypyrimidin-4-amine?
The InChIKey is OWUJMQQBBDJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-3-4-5-6-7-8-9-10-11-17-14-13(16)15(20-2)19-12-18-14/h12H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-N-decyl-6-methoxypyrimidin-4-amine?
5-chloro-N-decyl-6-methoxypyrimidin-4-amine has a molecular weight of 299.85 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-decyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 22911316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).