5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

C18H15N5S — CID 45267044

IUPAC5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3)c3c(C)csc3n2)n1
InChIInChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23)
InChIKeyBJZUHYVPTMBWIY-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.51
Rot. Bonds3

About 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 45267044) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID45267044
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3)c3c(C)csc3n2)n1
InChIInChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23)
InChIKeyBJZUHYVPTMBWIY-UHFFFAOYSA-N
XLogP4.51
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 45267044) is 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is Cc1cccc(-c2nc(Nc3ccncc3)c3c(C)csc3n2)n1.
What is the InChIKey of 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BJZUHYVPTMBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23).
What are the key properties of 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45267044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).