[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol

C23H23N5O2S — CID 59278064

IUPAC[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol
SMILESCc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4N4CCOCC4)sc3n2)c1
InChIInChI=1S/C23H23N5O2S/c1-14-4-2-5-15(12-14)21-26-20(24)17-13-18(31-23(17)27-21)19(29)16-6-3-7-25-22(16)28-8-10-30-11-9-28/h2-7,12-13,19,29H,8-11H2,1H3,(H2,24,26,27)
InChIKeyMLLFHPFRPRNOSU-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.56
Rot. Bonds4

About [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol

[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol (PubChem CID 59278064) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol
PubChem CID59278064
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol
SMILESCc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4N4CCOCC4)sc3n2)c1
InChIInChI=1S/C23H23N5O2S/c1-14-4-2-5-15(12-14)21-26-20(24)17-13-18(31-23(17)27-21)19(29)16-6-3-7-25-22(16)28-8-10-30-11-9-28/h2-7,12-13,19,29H,8-11H2,1H3,(H2,24,26,27)
InChIKeyMLLFHPFRPRNOSU-UHFFFAOYSA-N
XLogP3.56
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol?
The IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol (CID 59278064) is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol is Cc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4N4CCOCC4)sc3n2)c1.
What is the InChIKey of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol?
The InChIKey is MLLFHPFRPRNOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-4-2-5-15(12-14)21-26-20(24)17-13-18(31-23(17)27-21)19(29)16-6-3-7-25-22(16)28-8-10-30-11-9-28/h2-7,12-13,19,29H,8-11H2,1H3,(H2,24,26,27).
What are the key properties of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol?
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol has a molecular weight of 433.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-morpholin-4-yl-3-pyridinyl)methanol is sourced from PubChem (CID 59278064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).