2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

C22H22N4OS — CID 47091029

IUPAC2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
SMILESCC(Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12)C(C)(C)O
InChIInChI=1S/C22H22N4OS/c1-14(22(2,3)27)24-20-18-17(15-8-5-4-6-9-15)13-28-21(18)26-19(25-20)16-10-7-11-23-12-16/h4-14,27H,1-3H3,(H,24,25,26)
InChIKeyAYICTJHQZIQKPO-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.99
Rot. Bonds5

About 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol (PubChem CID 47091029) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
PubChem CID47091029
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
SMILESCC(Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12)C(C)(C)O
InChIInChI=1S/C22H22N4OS/c1-14(22(2,3)27)24-20-18-17(15-8-5-4-6-9-15)13-28-21(18)26-19(25-20)16-10-7-11-23-12-16/h4-14,27H,1-3H3,(H,24,25,26)
InChIKeyAYICTJHQZIQKPO-UHFFFAOYSA-N
XLogP4.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol with MolForge

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Related Compounds

5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
N-[(3R)-1,1-dioxothiolan-3-yl]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 41138262
(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 9310948
4-[(2-nitro-3-pyridinyl)oxy]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 26451845
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 9195115
2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 99802723
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 9280455
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 2575972
N-[1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4834425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol (CID 47091029) is 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol is CC(Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is AYICTJHQZIQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-14(22(2,3)27)24-20-18-17(15-8-5-4-6-9-15)13-28-21(18)26-19(25-20)16-10-7-11-23-12-16/h4-14,27H,1-3H3,(H,24,25,26).
What are the key properties of 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 390.51 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 47091029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).