1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride

C12H17ClFN5O2 — CID 135307328

IUPAC1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride
SMILESCN1CCN(c2ncc(OC/C(=C/F)CN)cn2)C1=O.Cl
InChIInChI=1S/C12H16FN5O2.ClH/c1-17-2-3-18(12(17)19)11-15-6-10(7-16-11)20-8-9(4-13)5-14;/h4,6-7H,2-3,5,8,14H2,1H3;1H/b9-4+;
InChIKeyNWZMIXKHZMRMAA-JOKMOOFLSA-N
MW317.75 g/mol
LogP0.96
Rot. Bonds5

About 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride

1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride (PubChem CID 135307328) has the molecular formula C12H17ClFN5O2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride
PubChem CID135307328
Molecular FormulaC12H17ClFN5O2
Molecular Weight317.75 g/mol
Exact Mass317.11
IUPAC Name1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride
SMILESCN1CCN(c2ncc(OC/C(=C/F)CN)cn2)C1=O.Cl
InChIInChI=1S/C12H16FN5O2.ClH/c1-17-2-3-18(12(17)19)11-15-6-10(7-16-11)20-8-9(4-13)5-14;/h4,6-7H,2-3,5,8,14H2,1H3;1H/b9-4+;
InChIKeyNWZMIXKHZMRMAA-JOKMOOFLSA-N
XLogP0.96
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride with MolForge

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Related Compounds

(3S)-3-[1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]piperidin-4-yl]oxy-1-methylpyrrolidin-2-one
CID 138612635
2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]oxymethyl]-3-fluoroprop-2-en-1-amine
CID 175172248
(E)-3-fluoro-2-[[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]oxymethyl]prop-2-en-1-amine
CID 134254328
1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 135356590
7-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-3-one
CID 135307337
2-[(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]piperidin-3-yl]-N-cyclopropylacetamide;hydrochloride
CID 135356422
(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 138612601
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-propyl-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 159076818
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
CID 155141729
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-(2-methylsulfonylethyl)phthalazin-1-one
CID 175132824

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride (CID 135307328) is 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride is CN1CCN(c2ncc(OC/C(=C/F)CN)cn2)C1=O.Cl.
What is the InChIKey of 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride?
The InChIKey is NWZMIXKHZMRMAA-JOKMOOFLSA-N. The full InChI is InChI=1S/C12H16FN5O2.ClH/c1-17-2-3-18(12(17)19)11-15-6-10(7-16-11)20-8-9(4-13)5-14;/h4,6-7H,2-3,5,8,14H2,1H3;1H/b9-4+;.
What are the key properties of 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride?
1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride has a molecular weight of 317.75 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-3-methylimidazolidin-2-one;hydrochloride is sourced from PubChem (CID 135307328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).