5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine

C13H15F2N3O — CID 70990490

IUPAC5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(OCC2=CC=C(F)CC2)ncc1F
InChIInChI=1S/C13H15F2N3O/c1-18(2)12-11(15)7-16-13(17-12)19-8-9-3-5-10(14)6-4-9/h3,5,7H,4,6,8H2,1-2H3
InChIKeyLSYMBGBUKXQNLK-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.63
Rot. Bonds4

About 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine

5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine (PubChem CID 70990490) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine
PubChem CID70990490
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(OCC2=CC=C(F)CC2)ncc1F
InChIInChI=1S/C13H15F2N3O/c1-18(2)12-11(15)7-16-13(17-12)19-8-9-3-5-10(14)6-4-9/h3,5,7H,4,6,8H2,1-2H3
InChIKeyLSYMBGBUKXQNLK-UHFFFAOYSA-N
XLogP2.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexa-1,5-dien-1-ylmethoxy)-5-fluoro-N-methylpyrimidin-4-amine
CID 70990460
N-cyclohexyl-5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]pyrimidin-4-amine
CID 70990558
5-Fluoro-2-[(4-fluorocyclohepta-1,3,6-trien-1-yl)methoxy]pyrimidin-4-amine
CID 71273037
5-Fluoro-2-(2-methylidenebutoxy)pyrimidin-4-amine
CID 89416447
5-fluoro-2-[(3E,5Z)-4-fluoro-2-methylocta-3,5,7-trienoxy]pyrimidin-4-amine
CID 89416468
2-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienoxy]-5-fluoropyrimidin-4-amine
CID 89416517
(5-Fluoro-2-prop-2-enoxypyrimidin-4-yl)-(2-methylbut-1-enyl)diazene
CID 90775635
1-[5-(2-chloro-5-fluoropyrimidin-4-yl)imino-2-methoxycyclohex-3-en-1-ylidene]-N,N-dimethylmethanamine
CID 90799463
2-[(Z,2E)-2-ethylidene-5-methylhex-3-enoxy]-5-fluoropyrimidin-4-amine
CID 118311793
1-[5-Fluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-4-yl]-1-methylhydrazine
CID 118311798
2-[[(4aR)-4a,5-dihydroquinolin-4-yl]methoxy]-5-fluoropyrimidin-4-amine
CID 118312330
(5-fluoro-2-prop-2-enoxypyrimidin-4-yl)-[(E)-2-methylbut-1-enyl]diazene
CID 123464895

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine (CID 70990490) is 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(OCC2=CC=C(F)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LSYMBGBUKXQNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-18(2)12-11(15)7-16-13(17-12)19-8-9-3-5-10(14)6-4-9/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine?
5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 267.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 70990490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).