N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide

C10H15N7O3 — CID 143043246

IUPACN-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESN/N=C(\N)NC(=O)c1cnc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C10H15N7O3/c11-9(16-12)14-7(18)6-5-13-10(15-8(6)19)17-1-3-20-4-2-17/h5H,1-4,12H2,(H,13,15,19)(H3,11,14,16,18)
InChIKeyYAIMDLNVQAHEND-UHFFFAOYSA-N
MW281.28 g/mol
LogP-2.48
Rot. Bonds2

About N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 143043246) has the molecular formula C10H15N7O3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID143043246
Molecular FormulaC10H15N7O3
Molecular Weight281.28 g/mol
Exact Mass281.12
IUPAC NameN-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESN/N=C(\N)NC(=O)c1cnc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C10H15N7O3/c11-9(16-12)14-7(18)6-5-13-10(15-8(6)19)17-1-3-20-4-2-17/h5H,1-4,12H2,(H,13,15,19)(H3,11,14,16,18)
InChIKeyYAIMDLNVQAHEND-UHFFFAOYSA-N
XLogP-2.48
TPSA151.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide (CID 143043246) is N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide is N/N=C(\N)NC(=O)c1cnc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YAIMDLNVQAHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O3/c11-9(16-12)14-7(18)6-5-13-10(15-8(6)19)17-1-3-20-4-2-17/h5H,1-4,12H2,(H,13,15,19)(H3,11,14,16,18).
What are the key properties of N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 281.28 g/mol, XLogP of -2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-C-aminocarbonohydrazonoyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 143043246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).