N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide

C8H12N6O3S — CID 171713921

IUPACN-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(N)nc(SCC(=O)NN)[nH]c1=O
InChIInChI=1S/C8H12N6O3S/c1-3(15)11-5-6(9)12-8(13-7(5)17)18-2-4(16)14-10/h2,10H2,1H3,(H,11,15)(H,14,16)(H3,9,12,13,17)
InChIKeyMHZIENBKPXTTPY-UHFFFAOYSA-N
MW272.29 g/mol
LogP-1.61
Rot. Bonds4

About N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide

N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide (PubChem CID 171713921) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide
PubChem CID171713921
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC NameN-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(N)nc(SCC(=O)NN)[nH]c1=O
InChIInChI=1S/C8H12N6O3S/c1-3(15)11-5-6(9)12-8(13-7(5)17)18-2-4(16)14-10/h2,10H2,1H3,(H,11,15)(H,14,16)(H3,9,12,13,17)
InChIKeyMHZIENBKPXTTPY-UHFFFAOYSA-N
XLogP-1.61
TPSA155.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-6-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-4-fluorobenzamide
CID 135700650
N-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-4-amino-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide
CID 136507671
N-[4-amino-2-(2-anilino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714738
methyl 2-[[4-amino-5-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate
CID 135700789
2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714784
N-[4-amino-2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714745
ethyl 2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714770
N-[4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide
CID 135700742
N-[4-amino-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135705811
N-[4-amino-2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135705810
N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135700816
N-[4-amino-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide
CID 135714830

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide (CID 171713921) is N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide is CC(=O)Nc1c(N)nc(SCC(=O)NN)[nH]c1=O.
What is the InChIKey of N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The InChIKey is MHZIENBKPXTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-3(15)11-5-6(9)12-8(13-7(5)17)18-2-4(16)14-10/h2,10H2,1H3,(H,11,15)(H,14,16)(H3,9,12,13,17).
What are the key properties of N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide has a molecular weight of 272.29 g/mol, XLogP of -1.61, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 171713921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).