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

C24H24N6O2S2 — CID 167390311

IUPAC3-[[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
SMILESCOc1cccc(-c2sc3nc(-c4nccn4C)nc(NC(C)CCO)c3c2-c2cscn2)c1
InChIInChI=1S/C24H24N6O2S2/c1-14(7-10-31)27-21-19-18(17-12-33-13-26-17)20(15-5-4-6-16(11-15)32-3)34-24(19)29-22(28-21)23-25-8-9-30(23)2/h4-6,8-9,11-14,31H,7,10H2,1-3H3,(H,27,28,29)
InChIKeyOYJRAFBGZXTSEE-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.07
Rot. Bonds8

About 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

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 (PubChem CID 167390311) has the molecular formula C24H24N6O2S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID167390311
Molecular FormulaC24H24N6O2S2
Molecular Weight492.63 g/mol
Exact Mass492.14
IUPAC Name3-[[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
SMILESCOc1cccc(-c2sc3nc(-c4nccn4C)nc(NC(C)CCO)c3c2-c2cscn2)c1
InChIInChI=1S/C24H24N6O2S2/c1-14(7-10-31)27-21-19-18(17-12-33-13-26-17)20(15-5-4-6-16(11-15)32-3)34-24(19)29-22(28-21)23-25-8-9-30(23)2/h4-6,8-9,11-14,31H,7,10H2,1-3H3,(H,27,28,29)
InChIKeyOYJRAFBGZXTSEE-UHFFFAOYSA-N
XLogP5.07
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 137429490
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
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 137429711
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
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
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
[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-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine
CID 45247586
6-(6-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 167390177
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
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2sc3nc(-c4nccn4C)nc(NC(C)CCO)c3c2-c2cscn2)c1.
What is the InChIKey of 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?
The InChIKey is OYJRAFBGZXTSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S2/c1-14(7-10-31)27-21-19-18(17-12-33-13-26-17)20(15-5-4-6-16(11-15)32-3)34-24(19)29-22(28-21)23-25-8-9-30(23)2/h4-6,8-9,11-14,31H,7,10H2,1-3H3,(H,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 492.63 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167390311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).