6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine

C14H20N6O — CID 142996691

IUPAC6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
SMILES[H]/N=C(\COC)n1cnc(Cn2ccnc2)c(CCC)/c1=N\[H]
InChIInChI=1S/C14H20N6O/c1-3-4-11-12(7-19-6-5-17-9-19)18-10-20(14(11)16)13(15)8-21-2/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3/b15-13+,16-14+
InChIKeyYMRIFWLGCBQVGN-WXUKJITCSA-N
MW288.36 g/mol
LogP1.03
Rot. Bonds6

About 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine

6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine (PubChem CID 142996691) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine.

Molecular Properties

Compound Name6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
PubChem CID142996691
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
SMILES[H]/N=C(\COC)n1cnc(Cn2ccnc2)c(CCC)/c1=N\[H]
InChIInChI=1S/C14H20N6O/c1-3-4-11-12(7-19-6-5-17-9-19)18-10-20(14(11)16)13(15)8-21-2/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3/b15-13+,16-14+
InChIKeyYMRIFWLGCBQVGN-WXUKJITCSA-N
XLogP1.03
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-Ethanimidoyl-5-(2-fluoroethyl)-6-(imidazol-1-ylmethyl)pyrimidin-4-imine
CID 142996669
(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol
CID 142996720
6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
CID 68763575
6-(1H-imidazol-2-yl)-4-methyl-8-[(3R)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
CID 68763754
ethane;(1Z,4Z)-8-imidazol-1-yl-N,N,2-trimethylocta-1,4-dien-1-amine;4-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]morpholine
CID 142142776
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
CID 142633392
3-Methanimidoyl-6-[(2-pent-4-enimidoylimidazol-1-yl)methyl]-5-propylpyrimidin-4-imine
CID 142996640
1-(2-Ethenyl-1-fluorocyclopropyl)ethanimine;6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
CID 142996689
ethane;2-fluoro-N-methylethanimine;N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methoxypentanimidamide;prop-1-ene
CID 142996707
(4E)-3-amino-4-(imidazol-1-ylmethylidene)-N'-(3-methoxypropyl)-N-methylidenehex-2-enimidamide
CID 173551964
(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine
CID 46990062
N-(2-methoxyethyl)-4-(1-propylimidazol-2-yl)pent-3-en-1-amine
CID 79606983

Frequently Asked Questions

What is the IUPAC name of 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine?
The IUPAC name of 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine (CID 142996691) is 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine.
What is the SMILES notation for 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine?
The canonical SMILES for 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine is [H]/N=C(\COC)n1cnc(Cn2ccnc2)c(CCC)/c1=N\[H].
What is the InChIKey of 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine?
The InChIKey is YMRIFWLGCBQVGN-WXUKJITCSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-4-11-12(7-19-6-5-17-9-19)18-10-20(14(11)16)13(15)8-21-2/h5-6,9-10,15-16H,3-4,7-8H2,1-2H3/b15-13+,16-14+.
What are the key properties of 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine?
6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine has a molecular weight of 288.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine is sourced from PubChem (CID 142996691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).