N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide

C23H22N4O2S — CID 69055065

IUPACN-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3c(CCO)sc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C23H22N4O2S/c1-14-3-2-4-15(11-14)12-19(29)27-17-7-5-16(6-8-17)20-18(9-10-28)30-23-21(20)22(24)25-13-26-23/h2-8,11,13,28H,9-10,12H2,1H3,(H,27,29)(H2,24,25,26)
InChIKeyYQGULRUNPZCCBO-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.96
Rot. Bonds6

About N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide

N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 69055065) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide
PubChem CID69055065
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3c(CCO)sc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C23H22N4O2S/c1-14-3-2-4-15(11-14)12-19(29)27-17-7-5-16(6-8-17)20-18(9-10-28)30-23-21(20)22(24)25-13-26-23/h2-8,11,13,28H,9-10,12H2,1H3,(H,27,29)(H2,24,25,26)
InChIKeyYQGULRUNPZCCBO-UHFFFAOYSA-N
XLogP3.96
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-amino-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-3-(3-methylphenyl)urea
CID 6540015
N-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 69058758
1-[4-[4-amino-6-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]phenyl]-3-(3-ethylphenyl)urea
CID 69062002
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea
CID 69062505
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
(E)-N-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 69058611
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 69056645
4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
CID 69058453
3-[4-amino-5-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidin-6-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 69062279
1-[4-(4-amino-6-bromofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 10388406
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-fluorophenyl)urea;isocyanic acid
CID 172778182

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide (CID 69055065) is N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(-c3c(CCO)sc4ncnc(N)c34)cc2)c1.
What is the InChIKey of N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is YQGULRUNPZCCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-3-2-4-15(11-14)12-19(29)27-17-7-5-16(6-8-17)20-18(9-10-28)30-23-21(20)22(24)25-13-26-23/h2-8,11,13,28H,9-10,12H2,1H3,(H,27,29)(H2,24,25,26).
What are the key properties of N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide?
N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 69055065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).