N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

C18H20N6S — CID 86806524

IUPACN-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nc3ncccc3[nH]2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C18H20N6S/c1-10(2)7-12-9-25-18-15(12)17(21-11(3)22-18)20-8-14-23-13-5-4-6-19-16(13)24-14/h4-6,9-10H,7-8H2,1-3H3,(H,19,23,24)(H,20,21,22)
InChIKeySEBPHTHKGGHVEX-UHFFFAOYSA-N
MW352.47 g/mol
LogP4.08
Rot. Bonds5

About N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine

N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 86806524) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID86806524
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nc3ncccc3[nH]2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C18H20N6S/c1-10(2)7-12-9-25-18-15(12)17(21-11(3)22-18)20-8-14-23-13-5-4-6-19-16(13)24-14/h4-6,9-10H,7-8H2,1-3H3,(H,19,23,24)(H,20,21,22)
InChIKeySEBPHTHKGGHVEX-UHFFFAOYSA-N
XLogP4.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 86806524) is N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2nc3ncccc3[nH]2)c2c(CC(C)C)csc2n1.
What is the InChIKey of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SEBPHTHKGGHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-10(2)7-12-9-25-18-15(12)17(21-11(3)22-18)20-8-14-23-13-5-4-6-19-16(13)24-14/h4-6,9-10H,7-8H2,1-3H3,(H,19,23,24)(H,20,21,22).
What are the key properties of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine?
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86806524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).