(6-oxo-1H-pyrimidin-2-yl)urea;urea

C6H10N6O3 — CID 69443941

IUPAC(6-oxo-1H-pyrimidin-2-yl)urea;urea
SMILESNC(=O)Nc1nccc(=O)[nH]1.NC(N)=O
InChIInChI=1S/C5H6N4O2.CH4N2O/c6-4(11)9-5-7-2-1-3(10)8-5;2-1(3)4/h1-2H,(H4,6,7,8,9,10,11);(H4,2,3,4)
InChIKeyFIRIUUKTOSDKTR-UHFFFAOYSA-N
MW214.19 g/mol
LogP-1.72
Rot. Bonds1

About (6-oxo-1H-pyrimidin-2-yl)urea;urea

(6-oxo-1H-pyrimidin-2-yl)urea;urea (PubChem CID 69443941) has the molecular formula C6H10N6O3 and a molecular weight of 214.19 g/mol. Its IUPAC name is (6-oxo-1H-pyrimidin-2-yl)urea;urea.

Molecular Properties

Compound Name(6-oxo-1H-pyrimidin-2-yl)urea;urea
PubChem CID69443941
Molecular FormulaC6H10N6O3
Molecular Weight214.19 g/mol
Exact Mass214.08
IUPAC Name(6-oxo-1H-pyrimidin-2-yl)urea;urea
SMILESNC(=O)Nc1nccc(=O)[nH]1.NC(N)=O
InChIInChI=1S/C5H6N4O2.CH4N2O/c6-4(11)9-5-7-2-1-3(10)8-5;2-1(3)4/h1-2H,(H4,6,7,8,9,10,11);(H4,2,3,4)
InChIKeyFIRIUUKTOSDKTR-UHFFFAOYSA-N
XLogP-1.72
TPSA169.98 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyrimidin-2-yl)urea;urea?
The IUPAC name of (6-oxo-1H-pyrimidin-2-yl)urea;urea (CID 69443941) is (6-oxo-1H-pyrimidin-2-yl)urea;urea.
What is the SMILES notation for (6-oxo-1H-pyrimidin-2-yl)urea;urea?
The canonical SMILES for (6-oxo-1H-pyrimidin-2-yl)urea;urea is NC(=O)Nc1nccc(=O)[nH]1.NC(N)=O.
What is the InChIKey of (6-oxo-1H-pyrimidin-2-yl)urea;urea?
The InChIKey is FIRIUUKTOSDKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2.CH4N2O/c6-4(11)9-5-7-2-1-3(10)8-5;2-1(3)4/h1-2H,(H4,6,7,8,9,10,11);(H4,2,3,4).
What are the key properties of (6-oxo-1H-pyrimidin-2-yl)urea;urea?
(6-oxo-1H-pyrimidin-2-yl)urea;urea has a molecular weight of 214.19 g/mol, XLogP of -1.72, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyrimidin-2-yl)urea;urea is sourced from PubChem (CID 69443941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).