1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid

C16H27N3O2 — CID 162376618

IUPAC1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid
SMILESC=C(N)c1nc(C)ncc1C.CCCC(CCC)C(=O)O
InChIInChI=1S/C8H11N3.C8H16O2/c1-5-4-10-7(3)11-8(5)6(2)9;1-3-5-7(6-4-2)8(9)10/h4H,2,9H2,1,3H3;7H,3-6H2,1-2H3,(H,9,10)
InChIKeyADOUMYZQGDNNIZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds6

About 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid

1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid (PubChem CID 162376618) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid.

Molecular Properties

Compound Name1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid
PubChem CID162376618
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid
SMILESC=C(N)c1nc(C)ncc1C.CCCC(CCC)C(=O)O
InChIInChI=1S/C8H11N3.C8H16O2/c1-5-4-10-7(3)11-8(5)6(2)9;1-3-5-7(6-4-2)8(9)10/h4H,2,9H2,1,3H3;7H,3-6H2,1-2H3,(H,9,10)
InChIKeyADOUMYZQGDNNIZ-UHFFFAOYSA-N
XLogP3.31
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
2-hydroxybenzamide;2-propylpentanoic acid
CID 21127409
formic acid;2-propylpentanoic acid
CID 87531584
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65221570
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid?
The IUPAC name of 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid (CID 162376618) is 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid.
What is the SMILES notation for 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid?
The canonical SMILES for 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid is C=C(N)c1nc(C)ncc1C.CCCC(CCC)C(=O)O.
What is the InChIKey of 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid?
The InChIKey is ADOUMYZQGDNNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C8H16O2/c1-5-4-10-7(3)11-8(5)6(2)9;1-3-5-7(6-4-2)8(9)10/h4H,2,9H2,1,3H3;7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid?
1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrimidin-4-yl)ethenamine;2-propylpentanoic acid is sourced from PubChem (CID 162376618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).