3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C21H18N6O2 — CID 170055168

IUPAC3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESNc1cc(Oc2ccc3nc(-c4cnc5n(c4=O)CCCN5)ccc3c2)ccn1
InChIInChI=1S/C21H18N6O2/c22-19-11-15(6-8-23-19)29-14-3-5-17-13(10-14)2-4-18(26-17)16-12-25-21-24-7-1-9-27(21)20(16)28/h2-6,8,10-12H,1,7,9H2,(H2,22,23)(H,24,25)
InChIKeyOYZPGZOKASBVHK-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.04
Rot. Bonds3

About 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 170055168) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID170055168
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESNc1cc(Oc2ccc3nc(-c4cnc5n(c4=O)CCCN5)ccc3c2)ccn1
InChIInChI=1S/C21H18N6O2/c22-19-11-15(6-8-23-19)29-14-3-5-17-13(10-14)2-4-18(26-17)16-12-25-21-24-7-1-9-27(21)20(16)28/h2-6,8,10-12H,1,7,9H2,(H2,22,23)(H,24,25)
InChIKeyOYZPGZOKASBVHK-UHFFFAOYSA-N
XLogP3.04
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
CID 170055092
N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055157
tert-butyl 7-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
CID 170056553
5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpyrimidin-4-one
CID 170055764
N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170056426
(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 146460914
8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
CID 136826742
N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055162
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-4-methoxy-N-propan-2-ylpyrimidin-2-amine
CID 168966518
N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055156
4-(4-amino-3-chlorophenoxy)pyridin-2-amine
CID 22936798

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 170055168) is 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is Nc1cc(Oc2ccc3nc(-c4cnc5n(c4=O)CCCN5)ccc3c2)ccn1.
What is the InChIKey of 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is OYZPGZOKASBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-19-11-15(6-8-23-19)29-14-3-5-17-13(10-14)2-4-18(26-17)16-12-25-21-24-7-1-9-27(21)20(16)28/h2-6,8,10-12H,1,7,9H2,(H2,22,23)(H,24,25).
What are the key properties of 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 386.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170055168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).