N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C18H19N7S — CID 166225267

IUPACN,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)n[nH]1
InChIInChI=1S/C18H19N7S/c1-10-11(2)26-18-15(10)17(25(4)9-14-20-12(3)23-24-14)21-16(22-18)13-6-5-7-19-8-13/h5-8H,9H2,1-4H3,(H,20,23,24)
InChIKeyUKDOMBJTFHMDHG-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.43
Rot. Bonds4

About N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166225267) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166225267
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC NameN,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)n[nH]1
InChIInChI=1S/C18H19N7S/c1-10-11(2)26-18-15(10)17(25(4)9-14-20-12(3)23-24-14)21-16(22-18)13-6-5-7-19-8-13/h5-8H,9H2,1-4H3,(H,20,23,24)
InChIKeyUKDOMBJTFHMDHG-UHFFFAOYSA-N
XLogP3.43
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

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CID 89596219
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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 166225267) is N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)n[nH]1.
What is the InChIKey of N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UKDOMBJTFHMDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-10-11(2)26-18-15(10)17(25(4)9-14-20-12(3)23-24-14)21-16(22-18)13-6-5-7-19-8-13/h5-8H,9H2,1-4H3,(H,20,23,24).
What are the key properties of N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166225267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).