6-octan-2-yloxy-2-propylpyrimidin-4-amine

C15H27N3O — CID 80949905

IUPAC6-octan-2-yloxy-2-propylpyrimidin-4-amine
SMILESCCCCCCC(C)Oc1cc(N)nc(CCC)n1
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-10-12(3)19-15-11-13(16)17-14(18-15)9-5-2/h11-12H,4-10H2,1-3H3,(H2,16,17,18)
InChIKeyDFPRRIQHDSCXQX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.75
Rot. Bonds9

About 6-octan-2-yloxy-2-propylpyrimidin-4-amine

6-octan-2-yloxy-2-propylpyrimidin-4-amine (PubChem CID 80949905) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-octan-2-yloxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-octan-2-yloxy-2-propylpyrimidin-4-amine
PubChem CID80949905
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-octan-2-yloxy-2-propylpyrimidin-4-amine
SMILESCCCCCCC(C)Oc1cc(N)nc(CCC)n1
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-10-12(3)19-15-11-13(16)17-14(18-15)9-5-2/h11-12H,4-10H2,1-3H3,(H2,16,17,18)
InChIKeyDFPRRIQHDSCXQX-UHFFFAOYSA-N
XLogP3.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.75
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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Related Compounds

6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
6-pentan-2-yloxypyrimidine-2,4-diamine
CID 102989471
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
6-bromo-2-octan-2-yloxypyrimidin-4-amine
CID 116797551
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
N-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950
6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442

Frequently Asked Questions

What is the IUPAC name of 6-octan-2-yloxy-2-propylpyrimidin-4-amine?
The IUPAC name of 6-octan-2-yloxy-2-propylpyrimidin-4-amine (CID 80949905) is 6-octan-2-yloxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-octan-2-yloxy-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-octan-2-yloxy-2-propylpyrimidin-4-amine is CCCCCCC(C)Oc1cc(N)nc(CCC)n1.
What is the InChIKey of 6-octan-2-yloxy-2-propylpyrimidin-4-amine?
The InChIKey is DFPRRIQHDSCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-7-8-10-12(3)19-15-11-13(16)17-14(18-15)9-5-2/h11-12H,4-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-octan-2-yloxy-2-propylpyrimidin-4-amine?
6-octan-2-yloxy-2-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octan-2-yloxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).