(5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea

C5H9N5O2 — CID 22995853

IUPAC(5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
SMILESNC(=O)NC1=NCC(N)C(=O)N1
InChIInChI=1S/C5H9N5O2/c6-2-1-8-5(9-3(2)11)10-4(7)12/h2H,1,6H2,(H4,7,8,9,10,11,12)
InChIKeyHAIVDMSEEFROIX-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.53
Rot. Bonds

About (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea

(5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea (PubChem CID 22995853) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
PubChem CID22995853
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name(5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
SMILESNC(=O)NC1=NCC(N)C(=O)N1
InChIInChI=1S/C5H9N5O2/c6-2-1-8-5(9-3(2)11)10-4(7)12/h2H,1,6H2,(H4,7,8,9,10,11,12)
InChIKeyHAIVDMSEEFROIX-UHFFFAOYSA-N
XLogP-2.53
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
The IUPAC name of (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea (CID 22995853) is (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea is NC(=O)NC1=NCC(N)C(=O)N1.
What is the InChIKey of (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
The InChIKey is HAIVDMSEEFROIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-2-1-8-5(9-3(2)11)10-4(7)12/h2H,1,6H2,(H4,7,8,9,10,11,12).
What are the key properties of (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea?
(5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea has a molecular weight of 171.16 g/mol, XLogP of -2.53, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 22995853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).