5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C14H18N6S2 — CID 50973073

IUPAC5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1c(C)sc2ncnc(NCCSc3nncn3C)c12
InChIInChI=1S/C14H18N6S2/c1-4-10-9(2)22-13-11(10)12(16-7-17-13)15-5-6-21-14-19-18-8-20(14)3/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyKSGJECUKWWHVAX-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.89
Rot. Bonds6

About 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 50973073) has the molecular formula C14H18N6S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID50973073
Molecular FormulaC14H18N6S2
Molecular Weight334.47 g/mol
Exact Mass334.10
IUPAC Name5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1c(C)sc2ncnc(NCCSc3nncn3C)c12
InChIInChI=1S/C14H18N6S2/c1-4-10-9(2)22-13-11(10)12(16-7-17-13)15-5-6-21-14-19-18-8-20(14)3/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyKSGJECUKWWHVAX-UHFFFAOYSA-N
XLogP2.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.89
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

1,6-dimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72877661
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282369
3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 123300385
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
5-ethyl-6-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 44591421
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-1-amine
CID 62578296
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 63730609
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62576622
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 50973073) is 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CCc1c(C)sc2ncnc(NCCSc3nncn3C)c12.
What is the InChIKey of 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KSGJECUKWWHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S2/c1-4-10-9(2)22-13-11(10)12(16-7-17-13)15-5-6-21-14-19-18-8-20(14)3/h7-8H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50973073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).