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

C17H17N7S — CID 167805955

IUPAC5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(NCCc3ncn[nH]3)c2c1C
InChIInChI=1S/C17H17N7S/c1-10-11(2)25-17-14(10)16(19-7-5-13-20-9-21-24-13)22-15(23-17)12-4-3-6-18-8-12/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,22,23)(H,20,21,24)
InChIKeyQXBXJCWKRGHDNU-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.14
Rot. Bonds5

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

5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 167805955) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID167805955
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Name5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(NCCc3ncn[nH]3)c2c1C
InChIInChI=1S/C17H17N7S/c1-10-11(2)25-17-14(10)16(19-7-5-13-20-9-21-24-13)22-15(23-17)12-4-3-6-18-8-12/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,22,23)(H,20,21,24)
InChIKeyQXBXJCWKRGHDNU-UHFFFAOYSA-N
XLogP3.14
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 167805955) is 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccnc3)nc(NCCc3ncn[nH]3)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QXBXJCWKRGHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-10-11(2)25-17-14(10)16(19-7-5-13-20-9-21-24-13)22-15(23-17)12-4-3-6-18-8-12/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,22,23)(H,20,21,24).
What are the key properties of 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 351.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167805955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).