N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C22H27N7OS — CID 163747575

IUPACN-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CC(Nc2nc(-c3nccn3C)nc3sc(-c4ccn(C(C)C)n4)c(C)c23)C1
InChIInChI=1S/C22H27N7OS/c1-12(2)29-8-6-16(27-29)18-13(3)17-19(24-14-10-15(11-14)30-5)25-20(26-22(17)31-18)21-23-7-9-28(21)4/h6-9,12,14-15H,10-11H2,1-5H3,(H,24,25,26)
InChIKeyLNEJFSTTYGAJJH-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.43
Rot. Bonds6

About N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 163747575) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID163747575
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC NameN-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CC(Nc2nc(-c3nccn3C)nc3sc(-c4ccn(C(C)C)n4)c(C)c23)C1
InChIInChI=1S/C22H27N7OS/c1-12(2)29-8-6-16(27-29)18-13(3)17-19(24-14-10-15(11-14)30-5)25-20(26-22(17)31-18)21-23-7-9-28(21)4/h6-9,12,14-15H,10-11H2,1-5H3,(H,24,25,26)
InChIKeyLNEJFSTTYGAJJH-UHFFFAOYSA-N
XLogP4.43
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 163747575) is N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is COC1CC(Nc2nc(-c3nccn3C)nc3sc(-c4ccn(C(C)C)n4)c(C)c23)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LNEJFSTTYGAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-12(2)29-8-6-16(27-29)18-13(3)17-19(24-14-10-15(11-14)30-5)25-20(26-22(17)31-18)21-23-7-9-28(21)4/h6-9,12,14-15H,10-11H2,1-5H3,(H,24,25,26).
What are the key properties of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 437.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163747575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).