N-butyl-5-ethyl-N-propylpyrimidin-2-amine

C13H23N3 — CID 71107630

IUPACN-butyl-5-ethyl-N-propylpyrimidin-2-amine
SMILESCCCCN(CCC)c1ncc(CC)cn1
InChIInChI=1S/C13H23N3/c1-4-7-9-16(8-5-2)13-14-10-12(6-3)11-15-13/h10-11H,4-9H2,1-3H3
InChIKeyFAPHTQWDXYVDGV-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.06
Rot. Bonds7

About N-butyl-5-ethyl-N-propylpyrimidin-2-amine

N-butyl-5-ethyl-N-propylpyrimidin-2-amine (PubChem CID 71107630) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-butyl-5-ethyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-5-ethyl-N-propylpyrimidin-2-amine
PubChem CID71107630
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-butyl-5-ethyl-N-propylpyrimidin-2-amine
SMILESCCCCN(CCC)c1ncc(CC)cn1
InChIInChI=1S/C13H23N3/c1-4-7-9-16(8-5-2)13-14-10-12(6-3)11-15-13/h10-11H,4-9H2,1-3H3
InChIKeyFAPHTQWDXYVDGV-UHFFFAOYSA-N
XLogP3.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethyl-N-propylpyrimidin-2-amine?
The IUPAC name of N-butyl-5-ethyl-N-propylpyrimidin-2-amine (CID 71107630) is N-butyl-5-ethyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-5-ethyl-N-propylpyrimidin-2-amine?
The canonical SMILES for N-butyl-5-ethyl-N-propylpyrimidin-2-amine is CCCCN(CCC)c1ncc(CC)cn1.
What is the InChIKey of N-butyl-5-ethyl-N-propylpyrimidin-2-amine?
The InChIKey is FAPHTQWDXYVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-9-16(8-5-2)13-14-10-12(6-3)11-15-13/h10-11H,4-9H2,1-3H3.
What are the key properties of N-butyl-5-ethyl-N-propylpyrimidin-2-amine?
N-butyl-5-ethyl-N-propylpyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 71107630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).