4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride

C16H14ClN3O — CID 90485755

IUPAC4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride
SMILESCl.O=C1NC2=C(Cc3ccccc32)C(c2ccccn2)N1
InChIInChI=1S/C16H13N3O.ClH/c20-16-18-14-11-6-2-1-5-10(11)9-12(14)15(19-16)13-7-3-4-8-17-13;/h1-8,15H,9H2,(H2,18,19,20);1H
InChIKeyOFTHYPLIQLJPOA-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.82
Rot. Bonds1

About 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride

4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride (PubChem CID 90485755) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride
PubChem CID90485755
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride
SMILESCl.O=C1NC2=C(Cc3ccccc32)C(c2ccccn2)N1
InChIInChI=1S/C16H13N3O.ClH/c20-16-18-14-11-6-2-1-5-10(11)9-12(14)15(19-16)13-7-3-4-8-17-13;/h1-8,15H,9H2,(H2,18,19,20);1H
InChIKeyOFTHYPLIQLJPOA-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2770910
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1-(Pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
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3-methyl-3-phenyl-N-(4-(pyridin-2-yl)benzyl)piperidine-1-carboxamide
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1-(4-Butylphenyl)-3-(pyridin-2-ylmethyl)urea
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1-[4-(Propan-2-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 6470487
1-(2-Ethylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6470944
1-(6-(4-Fluorophenyl)pyridin-3-yl)-3-(4-piperidin-1-ylbutyl)urea
CID 44240743
1-(2,6-Diisopropyl-phenyl)-3-{2-phenyl-2-[(pyridin-2-ylmethyl)-amino]-ethyl}-urea
CID 44297048
1-(6-Phenylpyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611609
1-(6-(2-Fluorophenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611748
1-(4-Piperidin-1-yl)butyl-3-(4-pyridin-3-ylphenyl)urea
CID 46830771

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride?
The IUPAC name of 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride (CID 90485755) is 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride?
The canonical SMILES for 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride is Cl.O=C1NC2=C(Cc3ccccc32)C(c2ccccn2)N1.
What is the InChIKey of 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride?
The InChIKey is OFTHYPLIQLJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O.ClH/c20-16-18-14-11-6-2-1-5-10(11)9-12(14)15(19-16)13-7-3-4-8-17-13;/h1-8,15H,9H2,(H2,18,19,20);1H.
What are the key properties of 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride?
4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 90485755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).