4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C14H15N7S — CID 133472657

IUPAC4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCCc1cc(Sc2nnc(-c3cnccn3)n2C)nc(C)n1
InChIInChI=1S/C14H15N7S/c1-4-10-7-12(18-9(2)17-10)22-14-20-19-13(21(14)3)11-8-15-5-6-16-11/h5-8H,4H2,1-3H3
InChIKeyPFKGEAHUUGVXCX-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.08
Rot. Bonds4

About 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 133472657) has the molecular formula C14H15N7S and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID133472657
Molecular FormulaC14H15N7S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCCc1cc(Sc2nnc(-c3cnccn3)n2C)nc(C)n1
InChIInChI=1S/C14H15N7S/c1-4-10-7-12(18-9(2)17-10)22-14-20-19-13(21(14)3)11-8-15-5-6-16-11/h5-8H,4H2,1-3H3
InChIKeyPFKGEAHUUGVXCX-UHFFFAOYSA-N
XLogP2.08
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
CID 66150710
2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
CID 931943
[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
CID 133385474
N-methyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1435268
2-[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine
CID 938500
4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium
CID 7435592
N-(3-fluorophenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 934101
1-(2-methoxyphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 936077
6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
CID 133460950
2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
CID 56795570
N-(2,5-dimethylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 112770673
2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404753

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 133472657) is 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is CCc1cc(Sc2nnc(-c3cnccn3)n2C)nc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is PFKGEAHUUGVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7S/c1-4-10-7-12(18-9(2)17-10)22-14-20-19-13(21(14)3)11-8-15-5-6-16-11/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 313.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 133472657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).