2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one

C17H19N5O2 — CID 50977568

IUPAC2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1cc(NCCN2N=C(c3ccccc3)CCC2=O)ncn1
InChIInChI=1S/C17H19N5O2/c1-24-16-11-15(19-12-20-16)18-9-10-22-17(23)8-7-14(21-22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,19,20)
InChIKeyMMQYRWRPVIWBGW-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.92
Rot. Bonds6

About 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 50977568) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID50977568
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1cc(NCCN2N=C(c3ccccc3)CCC2=O)ncn1
InChIInChI=1S/C17H19N5O2/c1-24-16-11-15(19-12-20-16)18-9-10-22-17(23)8-7-14(21-22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,19,20)
InChIKeyMMQYRWRPVIWBGW-UHFFFAOYSA-N
XLogP1.92
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66318514
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 70743618
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
CID 31105006
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 50977568) is 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one is COc1cc(NCCN2N=C(c3ccccc3)CCC2=O)ncn1.
What is the InChIKey of 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is MMQYRWRPVIWBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-16-11-15(19-12-20-16)18-9-10-22-17(23)8-7-14(21-22)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 325.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 50977568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).