N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide

C15H11Cl2N5O2 — CID 4798591

IUPACN-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(Cl)n1
InChIInChI=1S/C15H11Cl2N5O2/c1-7-18-12(16)11(13(17)19-7)20-14(23)10-8-5-3-4-6-9(8)15(24)22(2)21-10/h3-6H,1-2H3,(H,20,23)
InChIKeyZKPQZBCXJOAIRI-UHFFFAOYSA-N
MW364.19 g/mol
LogP2.59
Rot. Bonds2

About N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 4798591) has the molecular formula C15H11Cl2N5O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID4798591
Molecular FormulaC15H11Cl2N5O2
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(Cl)n1
InChIInChI=1S/C15H11Cl2N5O2/c1-7-18-12(16)11(13(17)19-7)20-14(23)10-8-5-3-4-6-9(8)15(24)22(2)21-10/h3-6H,1-2H3,(H,20,23)
InChIKeyZKPQZBCXJOAIRI-UHFFFAOYSA-N
XLogP2.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
4-chloro-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 9394849
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 17428702

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 4798591) is N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide is Cc1nc(Cl)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is ZKPQZBCXJOAIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2/c1-7-18-12(16)11(13(17)19-7)20-14(23)10-8-5-3-4-6-9(8)15(24)22(2)21-10/h3-6H,1-2H3,(H,20,23).
What are the key properties of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4798591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).