N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide

C8H10N4O2 — CID 177166167

IUPACN-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide
SMILESNc1[nH]c(=O)ncc1/C=C/CNC=O
InChIInChI=1S/C8H10N4O2/c9-7-6(2-1-3-10-5-13)4-11-8(14)12-7/h1-2,4-5H,3H2,(H,10,13)(H3,9,11,12,14)/b2-1+
InChIKeyXMZRWGPAMHTZOV-OWOJBTEDSA-N
MW194.19 g/mol
LogP-0.89
Rot. Bonds4

About N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide

N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide (PubChem CID 177166167) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide
PubChem CID177166167
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide
SMILESNc1[nH]c(=O)ncc1/C=C/CNC=O
InChIInChI=1S/C8H10N4O2/c9-7-6(2-1-3-10-5-13)4-11-8(14)12-7/h1-2,4-5H,3H2,(H,10,13)(H3,9,11,12,14)/b2-1+
InChIKeyXMZRWGPAMHTZOV-OWOJBTEDSA-N
XLogP-0.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide?
The IUPAC name of N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide (CID 177166167) is N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide.
What is the SMILES notation for N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide?
The canonical SMILES for N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide is Nc1[nH]c(=O)ncc1/C=C/CNC=O.
What is the InChIKey of N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide?
The InChIKey is XMZRWGPAMHTZOV-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-7-6(2-1-3-10-5-13)4-11-8(14)12-7/h1-2,4-5H,3H2,(H,10,13)(H3,9,11,12,14)/b2-1+.
What are the key properties of N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide?
N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide has a molecular weight of 194.19 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enyl]formamide is sourced from PubChem (CID 177166167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).