(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea

C9H12N4O2 — CID 135743939

IUPAC(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea
SMILESNC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C9H12N4O2/c10-8(15)13-9-11-6-4-2-1-3-5(6)7(14)12-9/h1-4H2,(H4,10,11,12,13,14,15)
InChIKeyKYAXNNQKTOQEDF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.14
Rot. Bonds1

About (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea

(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea (PubChem CID 135743939) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea.

Molecular Properties

Compound Name(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea
PubChem CID135743939
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea
SMILESNC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C9H12N4O2/c10-8(15)13-9-11-6-4-2-1-3-5(6)7(14)12-9/h1-4H2,(H4,10,11,12,13,14,15)
InChIKeyKYAXNNQKTOQEDF-UHFFFAOYSA-N
XLogP0.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea?
The IUPAC name of (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea (CID 135743939) is (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea.
What is the SMILES notation for (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea?
The canonical SMILES for (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea is NC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea?
The InChIKey is KYAXNNQKTOQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8(15)13-9-11-6-4-2-1-3-5(6)7(14)12-9/h1-4H2,(H4,10,11,12,13,14,15).
What are the key properties of (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea?
(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea has a molecular weight of 208.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)urea is sourced from PubChem (CID 135743939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).