N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane

C16H20F2N4O2 — CID 143838946

IUPACN-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane
SMILESCC(C)C.O=CNNc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C12H10F2N4O2.C4H10/c13-9-3-1-8(2-4-9)6-20-12-15-5-10(14)11(17-12)18-16-7-19;1-4(2)3/h1-5,7H,6H2,(H,16,19)(H,15,17,18);4H,1-3H3
InChIKeyMIMYILQVVPCGSL-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.07
Rot. Bonds6

About N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane

N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane (PubChem CID 143838946) has the molecular formula C16H20F2N4O2 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane
PubChem CID143838946
Molecular FormulaC16H20F2N4O2
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC NameN-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane
SMILESCC(C)C.O=CNNc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C12H10F2N4O2.C4H10/c13-9-3-1-8(2-4-9)6-20-12-15-5-10(14)11(17-12)18-16-7-19;1-4(2)3/h1-5,7H,6H2,(H,16,19)(H,15,17,18);4H,1-3H3
InChIKeyMIMYILQVVPCGSL-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide
CID 59160578
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
CID 59160653
prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
CID 118311806
5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
CID 160828403
5-fluoro-2-[(4-fluorophenyl)methoxy]-N-[(E)-(2-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 118312671
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
CID 59160617
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
CID 59160754
2-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]sulfanyl-N-hydroxybenzeneamine oxide
CID 148602267
[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid
CID 151140451
5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 173099572
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 70990513
[5-fluoro-2-(thiophen-3-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 118312298

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane?
The IUPAC name of N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane (CID 143838946) is N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane.
What is the SMILES notation for N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane?
The canonical SMILES for N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane is CC(C)C.O=CNNc1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane?
The InChIKey is MIMYILQVVPCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2.C4H10/c13-9-3-1-8(2-4-9)6-20-12-15-5-10(14)11(17-12)18-16-7-19;1-4(2)3/h1-5,7H,6H2,(H,16,19)(H,15,17,18);4H,1-3H3.
What are the key properties of N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane?
N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane has a molecular weight of 338.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane is sourced from PubChem (CID 143838946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).