2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

C25H23N5OS — CID 137429490

IUPAC2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H23N5OS/c1-16(15-31)27-22-20-19(17-9-5-3-6-10-17)21(18-11-7-4-8-12-18)32-25(20)29-23(28-22)24-26-13-14-30(24)2/h3-14,16,31H,15H2,1-2H3,(H,27,28,29)
InChIKeyVTHLYEAQNOBWBL-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.22
Rot. Bonds6

About 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 137429490) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID137429490
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H23N5OS/c1-16(15-31)27-22-20-19(17-9-5-3-6-10-17)21(18-11-7-4-8-12-18)32-25(20)29-23(28-22)24-26-13-14-30(24)2/h3-14,16,31H,15H2,1-2H3,(H,27,28,29)
InChIKeyVTHLYEAQNOBWBL-UHFFFAOYSA-N
XLogP5.22
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 137429711
3-[[6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 167390311
2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-yl-N-(2-sulfanyloxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166559601
6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 137429470
[3-[[6-[3-fluoro-2-(hydroxymethyl)phenyl]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 167390274
[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 167390214
5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 159172248
[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 167390132
6-(2-fluoro-3-methoxyphenyl)-N-[(1R,3R)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 164601244
2-fluoro-6-[4-[[(1R,3S)-3-formylcyclopentyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 177278640
7-[2-chloro-4-[4-[4-(2-methoxyethylamino)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-5-yl]-2-pyridinyl]phenyl]-2-(1-methylimidazol-2-yl)-6-phenylthieno[3,2-d]pyrimidin-4-ol
CID 142506956
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (CID 137429490) is 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is CC(CO)Nc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is VTHLYEAQNOBWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-16(15-31)27-22-20-19(17-9-5-3-6-10-17)21(18-11-7-4-8-12-18)32-25(20)29-23(28-22)24-26-13-14-30(24)2/h3-14,16,31H,15H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 441.56 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 137429490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).