6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine

C18H32N4O — CID 14011032

IUPAC6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine
SMILESCCCCCCCCCc1c(C)nc(N2CCOCC2)nc1N
InChIInChI=1S/C18H32N4O/c1-3-4-5-6-7-8-9-10-16-15(2)20-18(21-17(16)19)22-11-13-23-14-12-22/h3-14H2,1-2H3,(H2,19,20,21)
InChIKeyFPFGQMBKJUKWHR-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.50
Rot. Bonds9

About 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine

6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine (PubChem CID 14011032) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine
PubChem CID14011032
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine
SMILESCCCCCCCCCc1c(C)nc(N2CCOCC2)nc1N
InChIInChI=1S/C18H32N4O/c1-3-4-5-6-7-8-9-10-16-15(2)20-18(21-17(16)19)22-11-13-23-14-12-22/h3-14H2,1-2H3,(H2,19,20,21)
InChIKeyFPFGQMBKJUKWHR-UHFFFAOYSA-N
XLogP3.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine (CID 14011032) is 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine is CCCCCCCCCc1c(C)nc(N2CCOCC2)nc1N.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine?
The InChIKey is FPFGQMBKJUKWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-3-4-5-6-7-8-9-10-16-15(2)20-18(21-17(16)19)22-11-13-23-14-12-22/h3-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine?
6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine has a molecular weight of 320.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-5-nonylpyrimidin-4-amine is sourced from PubChem (CID 14011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).