5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one

C15H13N5O — CID 90708322

IUPAC5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one
SMILESCc1ccc(-c2nc(N)ncc2-c2ccn[nH]c2=O)cc1
InChIInChI=1S/C15H13N5O/c1-9-2-4-10(5-3-9)13-12(8-17-15(16)19-13)11-6-7-18-20-14(11)21/h2-8H,1H3,(H,20,21)(H2,16,17,19)
InChIKeySJBLTZNLCSPRID-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.78
Rot. Bonds2

About 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one

5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one (PubChem CID 90708322) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one
PubChem CID90708322
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one
SMILESCc1ccc(-c2nc(N)ncc2-c2ccn[nH]c2=O)cc1
InChIInChI=1S/C15H13N5O/c1-9-2-4-10(5-3-9)13-12(8-17-15(16)19-13)11-6-7-18-20-14(11)21/h2-8H,1H3,(H,20,21)(H2,16,17,19)
InChIKeySJBLTZNLCSPRID-UHFFFAOYSA-N
XLogP1.78
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030
5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
CID 134854467
4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
CID 117260801
5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
CID 67983118
5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one
CID 68603864
4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 67983119
5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
CID 132504480
2-amino-8-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
CID 132504478
5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
CID 174508815
5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium
CID 58714115

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one (CID 90708322) is 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one is Cc1ccc(-c2nc(N)ncc2-c2ccn[nH]c2=O)cc1.
What is the InChIKey of 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one?
The InChIKey is SJBLTZNLCSPRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-9-2-4-10(5-3-9)13-12(8-17-15(16)19-13)11-6-7-18-20-14(11)21/h2-8H,1H3,(H,20,21)(H2,16,17,19).
What are the key properties of 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one?
5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one has a molecular weight of 279.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 90708322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).