3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine

C20H29N7 — CID 142996661

IUPAC3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1CC1C=C.[H]/N=c1/c(CCC)c(Cn2ccnc2)ncn1/C(C)=N/[H]
InChIInChI=1S/C13H18N6.C7H11N/c1-3-4-11-12(7-18-6-5-16-8-18)17-9-19(10(2)14)13(11)15;1-3-6-4-7(6)5(2)8/h5-6,8-9,14-15H,3-4,7H2,1-2H3;3,6-8H,1,4H2,2H3/b14-10+,15-13-;8-5+
InChIKeyHLJKCKLMIKVHGA-YTYDDXQLSA-N
MW367.50 g/mol
LogP3.25
Rot. Bonds6

About 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine

3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine (PubChem CID 142996661) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine.

Molecular Properties

Compound Name3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine
PubChem CID142996661
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1CC1C=C.[H]/N=c1/c(CCC)c(Cn2ccnc2)ncn1/C(C)=N/[H]
InChIInChI=1S/C13H18N6.C7H11N/c1-3-4-11-12(7-18-6-5-16-8-18)17-9-19(10(2)14)13(11)15;1-3-6-4-7(6)5(2)8/h5-6,8-9,14-15H,3-4,7H2,1-2H3;3,6-8H,1,4H2,2H3/b14-10+,15-13-;8-5+
InChIKeyHLJKCKLMIKVHGA-YTYDDXQLSA-N
XLogP3.25
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine 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

1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
5-ethyl-6-[[2-(3-fluoro-4,5-dihydro-3H-azepin-2-yl)imidazol-1-yl]methyl]-3-(2-methylpropanimidoyl)pyrimidin-4-imine
CID 142996608
3-Fluoro-4-(3-imidazol-1-ylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 154295100
4-[1-[2-(Fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine
CID 174262975
1-Methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole
CID 123582136
3-[2,6-di(propan-2-yl)cyclohexa-1,4-dien-1-yl]-1-[2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-yl]-4H-imidazole-1,3-diium-4-ide
CID 159171271
(cyclohex-3-en-1-ylmethyl)isopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 50951875
1-[2-(Cyclohex-3-enyl)ethyl]imidazole
CID 20550242
1-[(1S,2S)-2-(6-cyclohexylhex-3-enyl)cyclopropyl]imidazole
CID 53837610
1-[3-(Cyclohexylmethyl)hept-3-enyl]imidazole
CID 54384665
1-[(E)-3-(cyclohexylmethyl)hept-3-enyl]imidazole
CID 70489519
2-Cyclohex-3-en-1-yl-1-methylimidazole
CID 89791874

Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine?
The IUPAC name of 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine (CID 142996661) is 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine.
What is the SMILES notation for 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine?
The canonical SMILES for 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine is [H]/N=C(\C)C1CC1C=C.[H]/N=c1/c(CCC)c(Cn2ccnc2)ncn1/C(C)=N/[H].
What is the InChIKey of 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine?
The InChIKey is HLJKCKLMIKVHGA-YTYDDXQLSA-N. The full InChI is InChI=1S/C13H18N6.C7H11N/c1-3-4-11-12(7-18-6-5-16-8-18)17-9-19(10(2)14)13(11)15;1-3-6-4-7(6)5(2)8/h5-6,8-9,14-15H,3-4,7H2,1-2H3;3,6-8H,1,4H2,2H3/b14-10+,15-13-;8-5+.
What are the key properties of 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine?
3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine has a molecular weight of 367.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-6-(imidazol-1-ylmethyl)-5-propylpyrimidin-4-imine;1-(2-ethenylcyclopropyl)ethanimine is sourced from PubChem (CID 142996661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).