N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine

C18H33N3 — CID 71106712

IUPACN-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine
SMILESCCCCN(c1ncncc1CCC)C(CCC)CCC
InChIInChI=1S/C18H33N3/c1-5-9-13-21(17(11-7-3)12-8-4)18-16(10-6-2)14-19-15-20-18/h14-15,17H,5-13H2,1-4H3
InChIKeyLHZPZRGPPARQKA-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.00
Rot. Bonds11

About N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine

N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine (PubChem CID 71106712) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine
PubChem CID71106712
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine
SMILESCCCCN(c1ncncc1CCC)C(CCC)CCC
InChIInChI=1S/C18H33N3/c1-5-9-13-21(17(11-7-3)12-8-4)18-16(10-6-2)14-19-15-20-18/h14-15,17H,5-13H2,1-4H3
InChIKeyLHZPZRGPPARQKA-UHFFFAOYSA-N
XLogP5.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine?
The IUPAC name of N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine (CID 71106712) is N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine is CCCCN(c1ncncc1CCC)C(CCC)CCC.
What is the InChIKey of N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine?
The InChIKey is LHZPZRGPPARQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-9-13-21(17(11-7-3)12-8-4)18-16(10-6-2)14-19-15-20-18/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine?
N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine has a molecular weight of 291.48 g/mol, XLogP of 5.00, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 71106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).