[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol

C19H17N5OS2 — CID 70037477

IUPAC[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol
SMILESCc1cc(CO)sc1C=NNc1ncnc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C19H17N5OS2/c1-12-6-15(10-25)26-17(12)9-23-24-18-16-8-14(27-19(16)22-11-21-18)7-13-4-2-3-5-20-13/h2-6,8-9,11,25H,7,10H2,1H3,(H,21,22,24)
InChIKeyWCBYGUXCPPAUBL-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.99
Rot. Bonds6

About [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol

[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol (PubChem CID 70037477) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol
PubChem CID70037477
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol
SMILESCc1cc(CO)sc1C=NNc1ncnc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C19H17N5OS2/c1-12-6-15(10-25)26-17(12)9-23-24-18-16-8-14(27-19(16)22-11-21-18)7-13-4-2-3-5-20-13/h2-6,8-9,11,25H,7,10H2,1H3,(H,21,22,24)
InChIKeyWCBYGUXCPPAUBL-UHFFFAOYSA-N
XLogP3.99
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10215659
[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 70035835
6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10236989
6-benzyl-N-[(E)-3-methylbut-2-enylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 10286518
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
CID 75054373
N-(2-hydroxyethyl)-3-[[4-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methyl]benzamide
CID 70035846
2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3601514
N-ethyl-N-hydroxy-3-[[4-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methyl]benzamide
CID 173249154
N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 139987696
2-[4-[2-[[4-(aminomethyl)phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropan-1-ol
CID 139987623
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
The IUPAC name of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol (CID 70037477) is [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol is Cc1cc(CO)sc1C=NNc1ncnc2sc(Cc3ccccn3)cc12.
What is the InChIKey of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
The InChIKey is WCBYGUXCPPAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-6-15(10-25)26-17(12)9-23-24-18-16-8-14(27-19(16)22-11-21-18)7-13-4-2-3-5-20-13/h2-6,8-9,11,25H,7,10H2,1H3,(H,21,22,24).
What are the key properties of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol has a molecular weight of 395.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 70037477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).