1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea

C17H17N5O2 — CID 67283615

IUPAC1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
SMILESO=C(Nc1ncccn1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C17H17N5O2/c23-15-11-5-3-6-12(14(11)13-7-1-2-10-22(13)15)20-17(24)21-16-18-8-4-9-19-16/h3-6,8-9,13H,1-2,7,10H2,(H2,18,19,20,21,24)
InChIKeyCPRLLUZKCILMHU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.80
Rot. Bonds2

About 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea

1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea (PubChem CID 67283615) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
PubChem CID67283615
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
SMILESO=C(Nc1ncccn1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C17H17N5O2/c23-15-11-5-3-6-12(14(11)13-7-1-2-10-22(13)15)20-17(24)21-16-18-8-4-9-19-16/h3-6,8-9,13H,1-2,7,10H2,(H2,18,19,20,21,24)
InChIKeyCPRLLUZKCILMHU-UHFFFAOYSA-N
XLogP2.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea (CID 67283615) is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea is O=C(Nc1ncccn1)Nc1cccc2c1C1CCCCN1C2=O.
What is the InChIKey of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea?
The InChIKey is CPRLLUZKCILMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-15-11-5-3-6-12(14(11)13-7-1-2-10-22(13)15)20-17(24)21-16-18-8-4-9-19-16/h3-6,8-9,13H,1-2,7,10H2,(H2,18,19,20,21,24).
What are the key properties of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea?
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea has a molecular weight of 323.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea is sourced from PubChem (CID 67283615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).