2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one

C16H19N3O2 — CID 136769457

IUPAC2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(C2CCCc3cccnc32)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-2-21-10-14-18-13(9-15(20)19-14)12-7-3-5-11-6-4-8-17-16(11)12/h4,6,8-9,12H,2-3,5,7,10H2,1H3,(H,18,19,20)
InChIKeyPBZQCMITQRMPGU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds4

About 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one (PubChem CID 136769457) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
PubChem CID136769457
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(C2CCCc3cccnc32)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-2-21-10-14-18-13(9-15(20)19-14)12-7-3-5-11-6-4-8-17-16(11)12/h4,6,8-9,12H,2-3,5,7,10H2,1H3,(H,18,19,20)
InChIKeyPBZQCMITQRMPGU-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456
N-ethyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824856
5,6-dimethyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrazine-2-thione
CID 106519088
N-methyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824855
N-ethyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739278
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770437

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one (CID 136769457) is 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one is CCOCc1nc(C2CCCc3cccnc32)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
The InChIKey is PBZQCMITQRMPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-10-14-18-13(9-15(20)19-14)12-7-3-5-11-6-4-8-17-16(11)12/h4,6,8-9,12H,2-3,5,7,10H2,1H3,(H,18,19,20).
What are the key properties of 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).