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

C14H23N3O — CID 102952257

IUPAC1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc(OC)ncn1
InChIInChI=1S/C14H23N3O/c1-5-8-15-12(7-6-11(2)3)13-9-14(18-4)17-10-16-13/h9-10,12,15H,2,5-8H2,1,3-4H3
InChIKeyCTPXHXOQVQKECE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.88
Rot. Bonds8

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

1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 102952257) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID102952257
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc(OC)ncn1
InChIInChI=1S/C14H23N3O/c1-5-8-15-12(7-6-11(2)3)13-9-14(18-4)17-10-16-13/h9-10,12,15H,2,5-8H2,1,3-4H3
InChIKeyCTPXHXOQVQKECE-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.88
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)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine (CID 102952257) is 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is CTPXHXOQVQKECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-8-15-12(7-6-11(2)3)13-9-14(18-4)17-10-16-13/h9-10,12,15H,2,5-8H2,1,3-4H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine?
1-(6-methoxypyrimidin-4-yl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.88, 8 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)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 102952257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).