1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine

C12H19N3O — CID 102952097

IUPAC1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(OC)ncn1
InChIInChI=1S/C12H19N3O/c1-5-6-13-12(9(2)3)10-7-11(16-4)15-8-14-10/h7-8,12-13H,2,5-6H2,1,3-4H3
InChIKeyOEMBZMYSTIOHNR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.10
Rot. Bonds6

About 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine

1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 102952097) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID102952097
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(OC)ncn1
InChIInChI=1S/C12H19N3O/c1-5-6-13-12(9(2)3)10-7-11(16-4)15-8-14-10/h7-8,12-13H,2,5-6H2,1,3-4H3
InChIKeyOEMBZMYSTIOHNR-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine (CID 102952097) is 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is OEMBZMYSTIOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-6-13-12(9(2)3)10-7-11(16-4)15-8-14-10/h7-8,12-13H,2,5-6H2,1,3-4H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine?
1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 102952097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).