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

C5H7N5O2 — CID 135773174

IUPAC(4-amino-6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H7N5O2/c6-2-1-3(11)9-5(8-2)10-4(7)12/h1H,(H6,6,7,8,9,10,11,12)
InChIKeyTTZATBWMASCNQU-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.16
Rot. Bonds1

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

(4-amino-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 135773174) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is (4-amino-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(4-amino-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID135773174
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name(4-amino-6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H7N5O2/c6-2-1-3(11)9-5(8-2)10-4(7)12/h1H,(H6,6,7,8,9,10,11,12)
InChIKeyTTZATBWMASCNQU-UHFFFAOYSA-N
XLogP-1.16
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminoisocytosine
CID 135408763
4(3H)-Pyrimidinone, 2-amino-6-hydroxy-
CID 66131
2-Amino-4-Chloro-6-Hydroxypyrimidine
CID 135403356
2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
2-Cyanoamino-4,6-dihydroxypyrimidine
CID 246750
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
Cyanamide, N-(4-amino-1,6-dihydro-6-oxo-2-pyrimidinyl)-
CID 135408698
2-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
2-Amino-6-chloropyrimidin-4-ol hydrate
CID 135445674
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
2,6-diaminopyrimidin-4(3H)-one monohydrate
CID 135898821

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of (4-amino-6-oxo-1H-pyrimidin-2-yl)urea (CID 135773174) is (4-amino-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (4-amino-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (4-amino-6-oxo-1H-pyrimidin-2-yl)urea is NC(=O)Nc1nc(N)cc(=O)[nH]1.
What is the InChIKey of (4-amino-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is TTZATBWMASCNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-2-1-3(11)9-5(8-2)10-4(7)12/h1H,(H6,6,7,8,9,10,11,12).
What are the key properties of (4-amino-6-oxo-1H-pyrimidin-2-yl)urea?
(4-amino-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 169.14 g/mol, XLogP of -1.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 135773174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).