3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile

C20H15N5O2S — CID 45275183

IUPAC3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
SMILESCOc1ccc(C(O)c2cc3c(N)nc(-c4cccc(C#N)c4)nc3s2)cn1
InChIInChI=1S/C20H15N5O2S/c1-27-16-6-5-13(10-23-16)17(26)15-8-14-18(22)24-19(25-20(14)28-15)12-4-2-3-11(7-12)9-21/h2-8,10,17,26H,1H3,(H2,22,24,25)
InChIKeyQFIOLBZQDIUWGE-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.30
Rot. Bonds4

About 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile

3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile (PubChem CID 45275183) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
PubChem CID45275183
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
SMILESCOc1ccc(C(O)c2cc3c(N)nc(-c4cccc(C#N)c4)nc3s2)cn1
InChIInChI=1S/C20H15N5O2S/c1-27-16-6-5-13(10-23-16)17(26)15-8-14-18(22)24-19(25-20(14)28-15)12-4-2-3-11(7-12)9-21/h2-8,10,17,26H,1H3,(H2,22,24,25)
InChIKeyQFIOLBZQDIUWGE-UHFFFAOYSA-N
XLogP3.30
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile with MolForge

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Related Compounds

[4-methoxy-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 117803656
6-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 118734188
6-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 118734189
6-(6-Methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 122178114
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2122255
N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 17483718
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 17492880
3-[4-Amino-6-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45274954
3-[4-Amino-6-[hydroxy-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45274955
3-[4-Amino-6-[(2-fluoro-3-pyridinyl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45275071
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
2-(3-Methylphenyl)-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 59278015

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile (CID 45275183) is 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile is COc1ccc(C(O)c2cc3c(N)nc(-c4cccc(C#N)c4)nc3s2)cn1.
What is the InChIKey of 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
The InChIKey is QFIOLBZQDIUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-27-16-6-5-13(10-23-16)17(26)15-8-14-18(22)24-19(25-20(14)28-15)12-4-2-3-11(7-12)9-21/h2-8,10,17,26H,1H3,(H2,22,24,25).
What are the key properties of 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile?
3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile has a molecular weight of 389.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-[hydroxy-(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 45275183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).