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

C17H30N4O — CID 14011024

IUPAC6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine
SMILESCCCCCCCCc1c(C)nc(N2CCOCC2)nc1N
InChIInChI=1S/C17H30N4O/c1-3-4-5-6-7-8-9-15-14(2)19-17(20-16(15)18)21-10-12-22-13-11-21/h3-13H2,1-2H3,(H2,18,19,20)
InChIKeyQKQQQZCKNJOFQX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.11
Rot. Bonds8

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

6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine (PubChem CID 14011024) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine
PubChem CID14011024
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine
SMILESCCCCCCCCc1c(C)nc(N2CCOCC2)nc1N
InChIInChI=1S/C17H30N4O/c1-3-4-5-6-7-8-9-15-14(2)19-17(20-16(15)18)21-10-12-22-13-11-21/h3-13H2,1-2H3,(H2,18,19,20)
InChIKeyQKQQQZCKNJOFQX-UHFFFAOYSA-N
XLogP3.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.11
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-octylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine (CID 14011024) is 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine is CCCCCCCCc1c(C)nc(N2CCOCC2)nc1N.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine?
The InChIKey is QKQQQZCKNJOFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-4-5-6-7-8-9-15-14(2)19-17(20-16(15)18)21-10-12-22-13-11-21/h3-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine?
6-methyl-2-morpholin-4-yl-5-octylpyrimidin-4-amine has a molecular weight of 306.45 g/mol, XLogP of 3.11, 8 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-octylpyrimidin-4-amine is sourced from PubChem (CID 14011024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).