1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea

C22H21N5O2S — CID 69062505

IUPAC1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea
SMILESCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C)c(O)c2)cc1
InChIInChI=1S/C22H21N5O2S/c1-3-17-18(19-20(23)24-11-25-21(19)30-17)13-5-8-14(9-6-13)26-22(29)27-15-7-4-12(2)16(28)10-15/h4-11,28H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,29)
InChIKeyVYOZRMZIYQGKEO-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.16
Rot. Bonds4

About 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea

1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea (PubChem CID 69062505) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea
PubChem CID69062505
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea
SMILESCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C)c(O)c2)cc1
InChIInChI=1S/C22H21N5O2S/c1-3-17-18(19-20(23)24-11-25-21(19)30-17)13-5-8-14(9-6-13)26-22(29)27-15-7-4-12(2)16(28)10-15/h4-11,28H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,29)
InChIKeyVYOZRMZIYQGKEO-UHFFFAOYSA-N
XLogP5.16
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 69056645
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-morpholin-4-ylphenyl)urea
CID 69058929
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 69053394
1-[4-[4-amino-6-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]phenyl]-3-(3-ethylphenyl)urea
CID 69062002
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-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-3-(3-methylphenyl)urea
CID 6540015
5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-fluorophenyl)urea
CID 6539995
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-fluorophenyl)urea;isocyanic acid
CID 172778182
(E)-N-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 69058611
3-[4-amino-5-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidin-6-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 69062279

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea (CID 69062505) is 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea is CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C)c(O)c2)cc1.
What is the InChIKey of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea?
The InChIKey is VYOZRMZIYQGKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-3-17-18(19-20(23)24-11-25-21(19)30-17)13-5-8-14(9-6-13)26-22(29)27-15-7-4-12(2)16(28)10-15/h4-11,28H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,29).
What are the key properties of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea?
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea has a molecular weight of 419.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea is sourced from PubChem (CID 69062505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).