(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol

C17H26FN7O — CID 142996720

IUPAC(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol
SMILES[H]/N=C(/c1nccn1CC1=C(CCC)CN(/C(CO)=N\NC)C=N1)C(C)F
InChIInChI=1S/C17H26FN7O/c1-4-5-13-8-25(15(10-26)23-20-3)11-22-14(13)9-24-7-6-21-17(24)16(19)12(2)18/h6-7,11-12,19-20,26H,4-5,8-10H2,1-3H3/b19-16+,23-15-
InChIKeyIUYNMMCLYOSSPZ-SKSWEPDJSA-N
MW363.44 g/mol
LogP1.53
Rot. Bonds8

About (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol

(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol (PubChem CID 142996720) has the molecular formula C17H26FN7O and a molecular weight of 363.44 g/mol. Its IUPAC name is (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol.

Molecular Properties

Compound Name(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol
PubChem CID142996720
Molecular FormulaC17H26FN7O
Molecular Weight363.44 g/mol
Exact Mass363.22
IUPAC Name(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol
SMILES[H]/N=C(/c1nccn1CC1=C(CCC)CN(/C(CO)=N\NC)C=N1)C(C)F
InChIInChI=1S/C17H26FN7O/c1-4-5-13-8-25(15(10-26)23-20-3)11-22-14(13)9-24-7-6-21-17(24)16(19)12(2)18/h6-7,11-12,19-20,26H,4-5,8-10H2,1-3H3/b19-16+,23-15-
InChIKeyIUYNMMCLYOSSPZ-SKSWEPDJSA-N
XLogP1.53
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[7-[[2-(2-Fluoro-2,3-dihydropyridin-6-yl)imidazol-1-yl]methyl]-3-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]propan-1-ol
CID 142996642
8-(3-Fluoropropyl)-3-methyl-7-[(2-methylimidazol-1-yl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 142996713
ethane;2-fluoro-N-methylethanimine;N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methoxypentanimidamide;prop-1-ene
CID 142996707
(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol;prop-1-ene
CID 142996719
1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide
CID 142996727
6-(Imidazol-1-ylmethyl)-3-(2-methoxyethanimidoyl)-5-propylpyrimidin-4-imine
CID 142996691
2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide
CID 142996700
N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methoxypentanimidamide
CID 142996708
2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide
CID 142996729

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol?
The IUPAC name of (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol (CID 142996720) is (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol.
What is the SMILES notation for (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol?
The canonical SMILES for (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol is [H]/N=C(/c1nccn1CC1=C(CCC)CN(/C(CO)=N\NC)C=N1)C(C)F.
What is the InChIKey of (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol?
The InChIKey is IUYNMMCLYOSSPZ-SKSWEPDJSA-N. The full InChI is InChI=1S/C17H26FN7O/c1-4-5-13-8-25(15(10-26)23-20-3)11-22-14(13)9-24-7-6-21-17(24)16(19)12(2)18/h6-7,11-12,19-20,26H,4-5,8-10H2,1-3H3/b19-16+,23-15-.
What are the key properties of (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol?
(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol has a molecular weight of 363.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol is sourced from PubChem (CID 142996720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).