6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine

C12H19N3O — CID 82453959

IUPAC6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine
SMILESC=CCNc1cc(OCC)nc(CCC)n1
InChIInChI=1S/C12H19N3O/c1-4-7-10-14-11(13-8-5-2)9-12(15-10)16-6-3/h5,9H,2,4,6-8H2,1,3H3,(H,13,14,15)
InChIKeyJXOMSVVMCSUOOP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds7

About 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine

6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine (PubChem CID 82453959) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine
PubChem CID82453959
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine
SMILESC=CCNc1cc(OCC)nc(CCC)n1
InChIInChI=1S/C12H19N3O/c1-4-7-10-14-11(13-8-5-2)9-12(15-10)16-6-3/h5,9H,2,4,6-8H2,1,3H3,(H,13,14,15)
InChIKeyJXOMSVVMCSUOOP-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
CID 80950558
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine
CID 82458102
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80949834
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 130512695
6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 82453955

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine (CID 82453959) is 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine is C=CCNc1cc(OCC)nc(CCC)n1.
What is the InChIKey of 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine?
The InChIKey is JXOMSVVMCSUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-10-14-11(13-8-5-2)9-12(15-10)16-6-3/h5,9H,2,4,6-8H2,1,3H3,(H,13,14,15).
What are the key properties of 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine?
6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82453959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).