6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide

C11H14N6O2S — CID 91628563

IUPAC6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCSc2nncn2C)ncn1
InChIInChI=1S/C11H14N6O2S/c1-17-7-15-16-11(17)20-4-3-12-10(18)8-5-9(19-2)14-6-13-8/h5-7H,3-4H2,1-2H3,(H,12,18)
InChIKeyAAQMSGIEQYCKQH-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.14
Rot. Bonds6

About 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide

6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 91628563) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide
PubChem CID91628563
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCSc2nncn2C)ncn1
InChIInChI=1S/C11H14N6O2S/c1-17-7-15-16-11(17)20-4-3-12-10(18)8-5-9(19-2)14-6-13-8/h5-7H,3-4H2,1-2H3,(H,12,18)
InChIKeyAAQMSGIEQYCKQH-UHFFFAOYSA-N
XLogP0.14
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789281
N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide
CID 91628556
6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 91628560
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-6-methoxypyrimidine-4-carboxamide
CID 91628562
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 45239732
2,6-dimethoxy-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]pyrimidine-4-carboxamide
CID 46968261
2,6-dimethoxy-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}pyrimidine-4-carboxamide
CID 46995184
(6-Methoxypyrimidin-4-yl)-piperazin-1-ylmethanone
CID 83890550
1,4-Diazepan-1-yl-(6-methoxypyrimidin-4-yl)methanone
CID 83897107
6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
CID 91816287
N-(4,5-dimethylthiazol-2-yl)-6-methoxypyrimidine-4-carboxamide
CID 92104128

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide (CID 91628563) is 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCCSc2nncn2C)ncn1.
What is the InChIKey of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is AAQMSGIEQYCKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-17-7-15-16-11(17)20-4-3-12-10(18)8-5-9(19-2)14-6-13-8/h5-7H,3-4H2,1-2H3,(H,12,18).
What are the key properties of 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide?
6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91628563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).