N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

C17H15N5O3 — CID 131949324

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cn4cccnc4n3)cc2N(C)C1=O
InChIInChI=1S/C17H15N5O3/c1-10-16(24)21(2)13-8-11(4-5-14(13)25-10)19-15(23)12-9-22-7-3-6-18-17(22)20-12/h3-10H,1-2H3,(H,19,23)
InChIKeyRXUKEWUOULGAOA-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.73
Rot. Bonds2

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 131949324) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID131949324
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cn4cccnc4n3)cc2N(C)C1=O
InChIInChI=1S/C17H15N5O3/c1-10-16(24)21(2)13-8-11(4-5-14(13)25-10)19-15(23)12-9-22-7-3-6-18-17(22)20-12/h3-10H,1-2H3,(H,19,23)
InChIKeyRXUKEWUOULGAOA-UHFFFAOYSA-N
XLogP1.73
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131903838
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
2-(aminomethyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154915006
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 166181450

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 131949324) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is CC1Oc2ccc(NC(=O)c3cn4cccnc4n3)cc2N(C)C1=O.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is RXUKEWUOULGAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-10-16(24)21(2)13-8-11(4-5-14(13)25-10)19-15(23)12-9-22-7-3-6-18-17(22)20-12/h3-10H,1-2H3,(H,19,23).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 131949324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).