5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine

C16H20FN5O — CID 143470922

IUPAC5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine
SMILESC=C/C=C(\C=C/C)/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H20FN5O/c1-3-5-13(6-4-2)11-19-21-16-18-12-14(17)15(20-16)22-7-9-23-10-8-22/h3-6,11-12H,1,7-10H2,2H3,(H,18,20,21)/b6-4-,13-5+,19-11+
InChIKeyBKNWARCCHAXHQF-QTXSXPSMSA-N
MW317.37 g/mol
LogP2.54
Rot. Bonds6

About 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine (PubChem CID 143470922) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine
PubChem CID143470922
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine
SMILESC=C/C=C(\C=C/C)/C=N/Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H20FN5O/c1-3-5-13(6-4-2)11-19-21-16-18-12-14(17)15(20-16)22-7-9-23-10-8-22/h3-6,11-12H,1,7-10H2,2H3,(H,18,20,21)/b6-4-,13-5+,19-11+
InChIKeyBKNWARCCHAXHQF-QTXSXPSMSA-N
XLogP2.54
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 129106591
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
2,4-dichloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135846631
1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135684617
4-bromo-2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 5188555
2-amino-4-bromo-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136633987
4-bromo-2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135627830
5-fluoro-N-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 17354247
5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
CID 118070379
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 3797340
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 126001855

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine (CID 143470922) is 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine is C=C/C=C(\C=C/C)/C=N/Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine?
The InChIKey is BKNWARCCHAXHQF-QTXSXPSMSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-3-5-13(6-4-2)11-19-21-16-18-12-14(17)15(20-16)22-7-9-23-10-8-22/h3-6,11-12H,1,7-10H2,2H3,(H,18,20,21)/b6-4-,13-5+,19-11+.
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine is sourced from PubChem (CID 143470922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).