3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol

C18H17N5O2S — CID 126495570

IUPAC3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol
SMILESCOc1cc(O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C18H17N5O2S/c1-10-16(13-5-4-12(24)6-14(13)25-3)17-15(26-10)8-19-18(22-17)21-11-7-20-23(2)9-11/h4-9,24H,1-3H3,(H,19,21,22)
InChIKeyLXPRIIZRJAAUEB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.86
Rot. Bonds4

About 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol

3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol (PubChem CID 126495570) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol
PubChem CID126495570
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol
SMILESCOc1cc(O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C18H17N5O2S/c1-10-16(13-5-4-12(24)6-14(13)25-3)17-15(26-10)8-19-18(22-17)21-11-7-20-23(2)9-11/h4-9,24H,1-3H3,(H,19,21,22)
InChIKeyLXPRIIZRJAAUEB-UHFFFAOYSA-N
XLogP3.86
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?
The IUPAC name of 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol (CID 126495570) is 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?
The canonical SMILES for 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol is COc1cc(O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?
The InChIKey is LXPRIIZRJAAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-16(13-5-4-12(24)6-14(13)25-3)17-15(26-10)8-19-18(22-17)21-11-7-20-23(2)9-11/h4-9,24H,1-3H3,(H,19,21,22).
What are the key properties of 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?
3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol has a molecular weight of 367.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol is sourced from PubChem (CID 126495570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).