[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea

C20H27FN4O2 — CID 142715655

IUPAC[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea
SMILESCC(C)(C)CC(C)(Cc1nccnc1OCc1cccc(F)c1)NC(N)=O
InChIInChI=1S/C20H27FN4O2/c1-19(2,3)13-20(4,25-18(22)26)11-16-17(24-9-8-23-16)27-12-14-6-5-7-15(21)10-14/h5-10H,11-13H2,1-4H3,(H3,22,25,26)
InChIKeyLKPNNWNEJBZCCH-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.60
Rot. Bonds7

About [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea

[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea (PubChem CID 142715655) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea.

Molecular Properties

Compound Name[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea
PubChem CID142715655
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea
SMILESCC(C)(C)CC(C)(Cc1nccnc1OCc1cccc(F)c1)NC(N)=O
InChIInChI=1S/C20H27FN4O2/c1-19(2,3)13-20(4,25-18(22)26)11-16-17(24-9-8-23-16)27-12-14-6-5-7-15(21)10-14/h5-10H,11-13H2,1-4H3,(H3,22,25,26)
InChIKeyLKPNNWNEJBZCCH-UHFFFAOYSA-N
XLogP3.60
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea
CID 142715593
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 67067988
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935
3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide
CID 155958545
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000
4-[4-[(3-fluorophenyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-3-en-2-one
CID 123668416
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea?
The IUPAC name of [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea (CID 142715655) is [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea.
What is the SMILES notation for [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea?
The canonical SMILES for [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea is CC(C)(C)CC(C)(Cc1nccnc1OCc1cccc(F)c1)NC(N)=O.
What is the InChIKey of [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea?
The InChIKey is LKPNNWNEJBZCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-19(2,3)13-20(4,25-18(22)26)11-16-17(24-9-8-23-16)27-12-14-6-5-7-15(21)10-14/h5-10H,11-13H2,1-4H3,(H3,22,25,26).
What are the key properties of [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea?
[1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea has a molecular weight of 374.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]-2,4,4-trimethylpentan-2-yl]urea is sourced from PubChem (CID 142715655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).