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

C23H27N9S — CID 164585173

IUPAC5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccn(C(C)C)n2)sc2nc(-c3nccn3C)nc(NCCc3cn(C)cn3)c12
InChIInChI=1S/C23H27N9S/c1-14(2)32-10-7-17(29-32)19-15(3)18-20(24-8-6-16-12-30(4)13-26-16)27-21(28-23(18)33-19)22-25-9-11-31(22)5/h7,9-14H,6,8H2,1-5H3,(H,24,27,28)
InChIKeyXEJSINXDVYNDKG-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.23
Rot. Bonds7

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

5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 164585173) has the molecular formula C23H27N9S and a molecular weight of 461.60 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID164585173
Molecular FormulaC23H27N9S
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC Name5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccn(C(C)C)n2)sc2nc(-c3nccn3C)nc(NCCc3cn(C)cn3)c12
InChIInChI=1S/C23H27N9S/c1-14(2)32-10-7-17(29-32)19-15(3)18-20(24-8-6-16-12-30(4)13-26-16)27-21(28-23(18)33-19)22-25-9-11-31(22)5/h7,9-14H,6,8H2,1-5H3,(H,24,27,28)
InChIKeyXEJSINXDVYNDKG-UHFFFAOYSA-N
XLogP4.23
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585093
3-[[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutane-1-carbaldehyde
CID 167390146
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
3-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanal
CID 171433984
ethane;[1-[2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;propane
CID 164585269
cis-(1S,3R)-3-[[5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]cyclopentane-1-carbaldehyde
CID 168849848
ethane;2-(1-methylimidazol-2-yl)-5-phenyl-6-(1-propan-2-ylpyrazol-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 164601300
2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-yl-N-(2-sulfanyloxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166559601
2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 137429490
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 137429711
N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237556
ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 164585227

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 164585173) is 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1c(-c2ccn(C(C)C)n2)sc2nc(-c3nccn3C)nc(NCCc3cn(C)cn3)c12.
What is the InChIKey of 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XEJSINXDVYNDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9S/c1-14(2)32-10-7-17(29-32)19-15(3)18-20(24-8-6-16-12-30(4)13-26-16)27-21(28-23(18)33-19)22-25-9-11-31(22)5/h7,9-14H,6,8H2,1-5H3,(H,24,27,28).
What are the key properties of 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 461.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164585173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).