N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine

C17H31N3O — CID 80988210

IUPACN,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCC(C)Oc1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C17H31N3O/c1-7-8-9-10-11-13(4)21-17-14(5)16(18-6)19-15(20-17)12(2)3/h12-13H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyCRGIIMXLINZVBJ-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.69
Rot. Bonds9

About N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine

N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80988210) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
PubChem CID80988210
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCC(C)Oc1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C17H31N3O/c1-7-8-9-10-11-13(4)21-17-14(5)16(18-6)19-15(20-17)12(2)3/h12-13H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyCRGIIMXLINZVBJ-UHFFFAOYSA-N
XLogP4.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
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 N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine (CID 80988210) is N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine is CCCCCCC(C)Oc1nc(C(C)C)nc(NC)c1C.
What is the InChIKey of N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CRGIIMXLINZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-8-9-10-11-13(4)21-17-14(5)16(18-6)19-15(20-17)12(2)3/h12-13H,7-11H2,1-6H3,(H,18,19,20).
What are the key properties of N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine?
N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80988210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).