propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate

C16H14FN5O3 — CID 123921850

IUPACpropan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(N=O)ccc3F)cn2c1
InChIInChI=1S/C16H14FN5O3/c1-9(2)25-16(23)19-11-6-18-15-20-14(8-22(15)7-11)12-5-10(21-24)3-4-13(12)17/h3-9H,1-2H3,(H,19,23)
InChIKeyDGUCELRZKZLSSJ-UHFFFAOYSA-N
MW343.32 g/mol
LogP3.89
Rot. Bonds4

About propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate

propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate (PubChem CID 123921850) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate
PubChem CID123921850
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Namepropan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(N=O)ccc3F)cn2c1
InChIInChI=1S/C16H14FN5O3/c1-9(2)25-16(23)19-11-6-18-15-20-14(8-22(15)7-11)12-5-10(21-24)3-4-13(12)17/h3-9H,1-2H3,(H,19,23)
InChIKeyDGUCELRZKZLSSJ-UHFFFAOYSA-N
XLogP3.89
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl N-[2-[2-fluoro-5-[(3-hydroxyazetidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 118875171
propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 86295754
propan-2-yl N-[2-[2-chloro-5-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 159964674
benzyl N-[2-(5-amino-2-fluorophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate;methane;molecular hydrogen
CID 144717991
propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 86297556
N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 86296181
N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
CID 123695711
4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718172
propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate
CID 167133669
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118875238
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118875214

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate (CID 123921850) is propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate is CC(C)OC(=O)Nc1cnc2nc(-c3cc(N=O)ccc3F)cn2c1.
What is the InChIKey of propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The InChIKey is DGUCELRZKZLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-9(2)25-16(23)19-11-6-18-15-20-14(8-22(15)7-11)12-5-10(21-24)3-4-13(12)17/h3-9H,1-2H3,(H,19,23).
What are the key properties of propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate?
propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate has a molecular weight of 343.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 123921850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).