2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C12H15N7O2S — CID 70752444

IUPAC2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCn1nnnc1SCCNC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H15N7O2S/c1-19-12(16-17-18-19)22-5-4-13-10(20)8-6-14-9(7-2-3-7)15-11(8)21/h6-7H,2-5H2,1H3,(H,13,20)(H,14,15,21)
InChIKeyVXMBBOVCXPUZRS-UHFFFAOYSA-N
MW321.37 g/mol
LogP-0.31
Rot. Bonds6

About 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70752444) has the molecular formula C12H15N7O2S and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70752444
Molecular FormulaC12H15N7O2S
Molecular Weight321.37 g/mol
Exact Mass321.10
IUPAC Name2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCn1nnnc1SCCNC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H15N7O2S/c1-19-12(16-17-18-19)22-5-4-13-10(20)8-6-14-9(7-2-3-7)15-11(8)21/h6-7H,2-5H2,1H3,(H,13,20)(H,14,15,21)
InChIKeyVXMBBOVCXPUZRS-UHFFFAOYSA-N
XLogP-0.31
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 166253059
(4S)-6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212969
6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56709508
2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 119059165
2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 155962112
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 155496366
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
CID 91835256
cis-(1R,2S)-1-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-N-prop-2-enylcyclohexane-1,2-dicarboxamide
CID 133118239

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70752444) is 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cn1nnnc1SCCNC(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VXMBBOVCXPUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2S/c1-19-12(16-17-18-19)22-5-4-13-10(20)8-6-14-9(7-2-3-7)15-11(8)21/h6-7H,2-5H2,1H3,(H,13,20)(H,14,15,21).
What are the key properties of 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 321.37 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70752444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).