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

C15H18N6S — CID 95291973

IUPAC2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H]2CCc3ncnn3C2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H18N6S/c1-8-9(2)22-15-13(8)14(18-10(3)19-15)20-11-4-5-12-16-7-17-21(12)6-11/h7,11H,4-6H2,1-3H3,(H,18,19,20)/t11-/m0/s1
InChIKeyXMGQBPJGNNIKNV-NSHDSACASA-N
MW314.42 g/mol
LogP2.63
Rot. Bonds2

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

2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 95291973) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[(6S)-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 Name2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID95291973
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H]2CCc3ncnn3C2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H18N6S/c1-8-9(2)22-15-13(8)14(18-10(3)19-15)20-11-4-5-12-16-7-17-21(12)6-11/h7,11H,4-6H2,1-3H3,(H,18,19,20)/t11-/m0/s1
InChIKeyXMGQBPJGNNIKNV-NSHDSACASA-N
XLogP2.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5,6-trimethyl-N-[(6S)-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 2,5,6-trimethyl-N-[(6S)-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 2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine (CID 95291973) is 2,5,6-trimethyl-N-[(6S)-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 2,5,6-trimethyl-N-[(6S)-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 2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@H]2CCc3ncnn3C2)c2c(C)c(C)sc2n1.
What is the InChIKey of 2,5,6-trimethyl-N-[(6S)-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 XMGQBPJGNNIKNV-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6S/c1-8-9(2)22-15-13(8)14(18-10(3)19-15)20-11-4-5-12-16-7-17-21(12)6-11/h7,11H,4-6H2,1-3H3,(H,18,19,20)/t11-/m0/s1.
What are the key properties of 2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-N-[(6S)-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 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[(6S)-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 95291973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).