tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate

C13H18ClN3O3 — CID 86728374

IUPACtert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cc(Cl)nc(=O)n2CC1(C)C
InChIInChI=1S/C13H18ClN3O3/c1-12(2,3)20-11(19)17-9-6-8(14)15-10(18)16(9)7-13(17,4)5/h6H,7H2,1-5H3
InChIKeyIGECFZYBIJQXPU-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.43
Rot. Bonds

About tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate

tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate (PubChem CID 86728374) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
PubChem CID86728374
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Nametert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cc(Cl)nc(=O)n2CC1(C)C
InChIInChI=1S/C13H18ClN3O3/c1-12(2,3)20-11(19)17-9-6-8(14)15-10(18)16(9)7-13(17,4)5/h6H,7H2,1-5H3
InChIKeyIGECFZYBIJQXPU-UHFFFAOYSA-N
XLogP2.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
CID 118679585
tert-butyl 4-(2,6-dichloro-4-pyridinyl)-4-methylpiperidine-1-carboxylate
CID 122503159
tert-butyl 7-chloro-5-formyl-3,3-dimethyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate
CID 145146130
tert-butyl (3R)-3-(tert-butylsulfinylamino)-5,7-dichloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate
CID 122501360
tert-butyl 2-chloro-4-methyl-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
CID 86690274
tert-butyl 2-chloro-5,5-dihydroxy-4-methyl-7,8-dihydro-1,6-naphthyridine-6-carboxylate
CID 144518623
tert-butyl 2-(2,6-dichloro-4-pyridinyl)azetidine-1-carboxylate
CID 170323359
tert-butyl 6-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 66742401
tert-butyl 2,2-dimethyl-5-oxopyrrole-1-carboxylate
CID 121217927
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
tert-butyl (2R)-4-(6-chloro-2-methylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499251

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate?
The IUPAC name of tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate (CID 86728374) is tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate?
The canonical SMILES for tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate is CC(C)(C)OC(=O)N1c2cc(Cl)nc(=O)n2CC1(C)C.
What is the InChIKey of tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate?
The InChIKey is IGECFZYBIJQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-12(2,3)20-11(19)17-9-6-8(14)15-10(18)16(9)7-13(17,4)5/h6H,7H2,1-5H3.
What are the key properties of tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate?
tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate has a molecular weight of 299.76 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-chloro-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate is sourced from PubChem (CID 86728374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).