N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

C16H15Cl2N3O4 — CID 54717365

IUPACN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1OCCn2c1nc(C(=O)NCc1ccc(Cl)c(Cl)c1)c(O)c2=O
InChIInChI=1S/C16H15Cl2N3O4/c1-8-14-20-12(13(22)16(24)21(14)4-5-25-8)15(23)19-7-9-2-3-10(17)11(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKeyALAKSLMTQSBWKT-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.28
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717365) has the molecular formula C16H15Cl2N3O4 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717365
Molecular FormulaC16H15Cl2N3O4
Molecular Weight384.22 g/mol
Exact Mass383.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1OCCn2c1nc(C(=O)NCc1ccc(Cl)c(Cl)c1)c(O)c2=O
InChIInChI=1S/C16H15Cl2N3O4/c1-8-14-20-12(13(22)16(24)21(14)4-5-25-8)15(23)19-7-9-2-3-10(17)11(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKeyALAKSLMTQSBWKT-UHFFFAOYSA-N
XLogP2.28
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717365) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1OCCn2c1nc(C(=O)NCc1ccc(Cl)c(Cl)c1)c(O)c2=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is ALAKSLMTQSBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4/c1-8-14-20-12(13(22)16(24)21(14)4-5-25-8)15(23)19-7-9-2-3-10(17)11(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 384.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).