(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine

C11H16FN3 — CID 144790040

IUPAC(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
SMILESC=C1C=C(/C(CN)=C(\C)C(=C)F)NCN1
InChIInChI=1S/C11H16FN3/c1-7-4-11(15-6-14-7)10(5-13)8(2)9(3)12/h4,14-15H,1,3,5-6,13H2,2H3/b10-8+
InChIKeyVWZKTJHUIWTXEK-CSKARUKUSA-N
MW209.27 g/mol
LogP1.29
Rot. Bonds3

About (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine

(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine (PubChem CID 144790040) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
PubChem CID144790040
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
SMILESC=C1C=C(/C(CN)=C(\C)C(=C)F)NCN1
InChIInChI=1S/C11H16FN3/c1-7-4-11(15-6-14-7)10(5-13)8(2)9(3)12/h4,14-15H,1,3,5-6,13H2,2H3/b10-8+
InChIKeyVWZKTJHUIWTXEK-CSKARUKUSA-N
XLogP1.29
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
CID 130349826
N-[(4-fluoro-5-methyl-2H-pyridin-1-yl)methyl]ethanamine
CID 137532740
3-[(4E,6E)-7-amino-4,8-difluoro-3-methylideneocta-4,6-dien-1-ynyl]-4-methyl-1,2-dihydropyridin-6-amine
CID 138718348
1-(6-fluoro-2-methyl-1,2-dihydropyridin-5-yl)-N'-[(Z)-2-methylbut-1-enyl]methanediamine
CID 141810241
5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 145195918
2-N,2-dimethyl-3-(trifluoromethyl)-1H-pyridine-2,6-diamine
CID 154271649
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
CID 155228813
1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine
CID 155728285
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156715331
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
CID 169149259

Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine (CID 144790040) is (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine is C=C1C=C(/C(CN)=C(\C)C(=C)F)NCN1.
What is the InChIKey of (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine?
The InChIKey is VWZKTJHUIWTXEK-CSKARUKUSA-N. The full InChI is InChI=1S/C11H16FN3/c1-7-4-11(15-6-14-7)10(5-13)8(2)9(3)12/h4,14-15H,1,3,5-6,13H2,2H3/b10-8+.
What are the key properties of (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine?
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine has a molecular weight of 209.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 144790040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).