N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid

C16H22N6O5 — CID 154909657

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid
SMILESCC(C)Cc1cc(C(=O)NCCc2nc(N)cc(=O)[nH]2)nc(=O)[nH]1.O=CO
InChIInChI=1S/C15H20N6O3.CH2O2/c1-8(2)5-9-6-10(19-15(24)18-9)14(23)17-4-3-12-20-11(16)7-13(22)21-12;2-1-3/h6-8H,3-5H2,1-2H3,(H,17,23)(H,18,19,24)(H3,16,20,21,22);1H,(H,2,3)
InChIKeyYYUXMUHOZYLRDR-UHFFFAOYSA-N
MW378.39 g/mol
LogP-0.69
Rot. Bonds6

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid (PubChem CID 154909657) has the molecular formula C16H22N6O5 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid
PubChem CID154909657
Molecular FormulaC16H22N6O5
Molecular Weight378.39 g/mol
Exact Mass378.17
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid
SMILESCC(C)Cc1cc(C(=O)NCCc2nc(N)cc(=O)[nH]2)nc(=O)[nH]1.O=CO
InChIInChI=1S/C15H20N6O3.CH2O2/c1-8(2)5-9-6-10(19-15(24)18-9)14(23)17-4-3-12-20-11(16)7-13(22)21-12;2-1-3/h6-8H,3-5H2,1-2H3,(H,17,23)(H,18,19,24)(H3,16,20,21,22);1H,(H,2,3)
InChIKeyYYUXMUHOZYLRDR-UHFFFAOYSA-N
XLogP-0.69
TPSA183.92 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 118783400
6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 156880544
N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 131909946
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 137108538
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 91793755
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 137214437
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 77090502
6-(2-methylpropyl)-2-oxo-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-4-carboxamide
CID 91789386
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 136661986

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid (CID 154909657) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid is CC(C)Cc1cc(C(=O)NCCc2nc(N)cc(=O)[nH]2)nc(=O)[nH]1.O=CO.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid?
The InChIKey is YYUXMUHOZYLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3.CH2O2/c1-8(2)5-9-6-10(19-15(24)18-9)14(23)17-4-3-12-20-11(16)7-13(22)21-12;2-1-3/h6-8H,3-5H2,1-2H3,(H,17,23)(H,18,19,24)(H3,16,20,21,22);1H,(H,2,3).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid has a molecular weight of 378.39 g/mol, XLogP of -0.69, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid is sourced from PubChem (CID 154909657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).