6-amino-1H-pyrimidin-2-one;carbamic acid

C5H8N4O3 — CID 67723788

IUPAC6-amino-1H-pyrimidin-2-one;carbamic acid
SMILESNC(=O)O.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.CH3NO2/c5-3-1-2-6-4(8)7-3;2-1(3)4/h1-2H,(H3,5,6,7,8);2H2,(H,3,4)
InChIKeyFQDWFNLTNVRIPS-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.02
Rot. Bonds

About 6-amino-1H-pyrimidin-2-one;carbamic acid

6-amino-1H-pyrimidin-2-one;carbamic acid (PubChem CID 67723788) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;carbamic acid.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;carbamic acid
PubChem CID67723788
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name6-amino-1H-pyrimidin-2-one;carbamic acid
SMILESNC(=O)O.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.CH3NO2/c5-3-1-2-6-4(8)7-3;2-1(3)4/h1-2H,(H3,5,6,7,8);2H2,(H,3,4)
InChIKeyFQDWFNLTNVRIPS-UHFFFAOYSA-N
XLogP-1.02
TPSA135.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidin-2-one;carbamic acid?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;carbamic acid (CID 67723788) is 6-amino-1H-pyrimidin-2-one;carbamic acid.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;carbamic acid?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;carbamic acid is NC(=O)O.Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;carbamic acid?
The InChIKey is FQDWFNLTNVRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.CH3NO2/c5-3-1-2-6-4(8)7-3;2-1(3)4/h1-2H,(H3,5,6,7,8);2H2,(H,3,4).
What are the key properties of 6-amino-1H-pyrimidin-2-one;carbamic acid?
6-amino-1H-pyrimidin-2-one;carbamic acid has a molecular weight of 172.14 g/mol, XLogP of -1.02, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;carbamic acid is sourced from PubChem (CID 67723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).