N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine

C15H18N6S — CID 95350882

IUPACN-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc2n(n1)C[C@H](Nc1ncnc3sccc13)CC2
InChIInChI=1S/C15H18N6S/c1-9(2)13-19-12-4-3-10(7-21(12)20-13)18-14-11-5-6-22-15(11)17-8-16-14/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)/t10-/m1/s1
InChIKeyKCRGURYUVVQQCV-SNVBAGLBSA-N
MW314.42 g/mol
LogP2.83
Rot. Bonds3

About N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine

N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 95350882) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID95350882
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC NameN-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc2n(n1)C[C@H](Nc1ncnc3sccc13)CC2
InChIInChI=1S/C15H18N6S/c1-9(2)13-19-12-4-3-10(7-21(12)20-13)18-14-11-5-6-22-15(11)17-8-16-14/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)/t10-/m1/s1
InChIKeyKCRGURYUVVQQCV-SNVBAGLBSA-N
XLogP2.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine (CID 95350882) is N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine is CC(C)c1nc2n(n1)C[C@H](Nc1ncnc3sccc13)CC2.
What is the InChIKey of N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KCRGURYUVVQQCV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N6S/c1-9(2)13-19-12-4-3-10(7-21(12)20-13)18-14-11-5-6-22-15(11)17-8-16-14/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)/t10-/m1/s1.
What are the key properties of N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 314.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95350882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).