N-octan-4-yl-6-propylpyrimidin-4-amine

C15H27N3 — CID 106026552

IUPACN-octan-4-yl-6-propylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1cc(CCC)ncn1
InChIInChI=1S/C15H27N3/c1-4-7-10-13(8-5-2)18-15-11-14(9-6-3)16-12-17-15/h11-13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyXIAOKJCFXTTYPW-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.20
Rot. Bonds9

About N-octan-4-yl-6-propylpyrimidin-4-amine

N-octan-4-yl-6-propylpyrimidin-4-amine (PubChem CID 106026552) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-octan-4-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-octan-4-yl-6-propylpyrimidin-4-amine
PubChem CID106026552
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-octan-4-yl-6-propylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1cc(CCC)ncn1
InChIInChI=1S/C15H27N3/c1-4-7-10-13(8-5-2)18-15-11-14(9-6-3)16-12-17-15/h11-13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyXIAOKJCFXTTYPW-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-6-propylpyrimidin-4-amine?
The IUPAC name of N-octan-4-yl-6-propylpyrimidin-4-amine (CID 106026552) is N-octan-4-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-octan-4-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-octan-4-yl-6-propylpyrimidin-4-amine is CCCCC(CCC)Nc1cc(CCC)ncn1.
What is the InChIKey of N-octan-4-yl-6-propylpyrimidin-4-amine?
The InChIKey is XIAOKJCFXTTYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-10-13(8-5-2)18-15-11-14(9-6-3)16-12-17-15/h11-13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-octan-4-yl-6-propylpyrimidin-4-amine?
N-octan-4-yl-6-propylpyrimidin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 106026552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).