2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one

C19H23N7O — CID 70743618

IUPAC2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESNc1nc2c(c(NCCN3N=C(c4ccccc4)CCC3=O)n1)CCNC2
InChIInChI=1S/C19H23N7O/c20-19-23-16-12-21-9-8-14(16)18(24-19)22-10-11-26-17(27)7-6-15(25-26)13-4-2-1-3-5-13/h1-5,21H,6-12H2,(H3,20,22,23,24)
InChIKeyZAWKOXBZXQZGKE-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.14
Rot. Bonds5

About 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 70743618) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID70743618
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESNc1nc2c(c(NCCN3N=C(c4ccccc4)CCC3=O)n1)CCNC2
InChIInChI=1S/C19H23N7O/c20-19-23-16-12-21-9-8-14(16)18(24-19)22-10-11-26-17(27)7-6-15(25-26)13-4-2-1-3-5-13/h1-5,21H,6-12H2,(H3,20,22,23,24)
InChIKeyZAWKOXBZXQZGKE-UHFFFAOYSA-N
XLogP1.14
TPSA108.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 50977568
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 126458708
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
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(2-phenylethyl)propanamide
CID 6624469
4-[4-[2-(4-methyltriazol-1-yl)ethylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]benzamide
CID 56867576
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 117101960
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 56743134
1-[2-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]ethyl]pyrrolidin-2-one
CID 50982829
N-cyclopentyl-2-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethylamino]propanamide
CID 50970834

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 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) is 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one is Nc1nc2c(c(NCCN3N=C(c4ccccc4)CCC3=O)n1)CCNC2.
What is the InChIKey of 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is ZAWKOXBZXQZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-19-23-16-12-21-9-8-14(16)18(24-19)22-10-11-26-17(27)7-6-15(25-26)13-4-2-1-3-5-13/h1-5,21H,6-12H2,(H3,20,22,23,24).
What are the key properties of 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 365.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 70743618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).