N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide

C5H7N5O2 — CID 152743479

IUPACN-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide
SMILES[H]/N=C1\N=C(N)NC(=O)C1NC=O
InChIInChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2H,(H,8,11)(H4,6,7,9,10,12)
InChIKeyGIMRVVLNBSNCLO-UHFFFAOYSA-N
MW169.14 g/mol
LogP-2.48
Rot. Bonds2

About N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide

N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide (PubChem CID 152743479) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide
PubChem CID152743479
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC NameN-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide
SMILES[H]/N=C1\N=C(N)NC(=O)C1NC=O
InChIInChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2H,(H,8,11)(H4,6,7,9,10,12)
InChIKeyGIMRVVLNBSNCLO-UHFFFAOYSA-N
XLogP-2.48
TPSA120.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide?
The IUPAC name of N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide (CID 152743479) is N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide.
What is the SMILES notation for N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide?
The canonical SMILES for N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide is [H]/N=C1\N=C(N)NC(=O)C1NC=O.
What is the InChIKey of N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide?
The InChIKey is GIMRVVLNBSNCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2H,(H,8,11)(H4,6,7,9,10,12).
What are the key properties of N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide?
N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide has a molecular weight of 169.14 g/mol, XLogP of -2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide is sourced from PubChem (CID 152743479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).