1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea

C20H15ClFN5OS — CID 69062724

IUPAC1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea
SMILESCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C20H15ClFN5OS/c1-10-16(17-18(23)24-9-25-19(17)29-10)11-5-6-15(14(22)7-11)27-20(28)26-13-4-2-3-12(21)8-13/h2-9H,1H3,(H2,23,24,25)(H2,26,27,28)
InChIKeyDCWXKPJQFSFQSD-UHFFFAOYSA-N
MW427.89 g/mol
LogP5.69
Rot. Bonds3

About 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea

1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea (PubChem CID 69062724) has the molecular formula C20H15ClFN5OS and a molecular weight of 427.89 g/mol. Its IUPAC name is 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea
PubChem CID69062724
Molecular FormulaC20H15ClFN5OS
Molecular Weight427.89 g/mol
Exact Mass427.07
IUPAC Name1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea
SMILESCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C20H15ClFN5OS/c1-10-16(17-18(23)24-9-25-19(17)29-10)11-5-6-15(14(22)7-11)27-20(28)26-13-4-2-3-12(21)8-13/h2-9H,1H3,(H2,23,24,25)(H2,26,27,28)
InChIKeyDCWXKPJQFSFQSD-UHFFFAOYSA-N
XLogP5.69
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.89
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-fluorophenyl)urea
CID 69060088
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea
CID 69056231
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-fluorophenyl)urea;isocyanic acid
CID 172778182
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-(3-chloro-4-methylphenyl)urea
CID 69053394
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 69058067
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-chlorophenyl)urea
CID 69056238
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3-chlorophenyl)urea
CID 69054409
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
CID 69058453
4-amino-N-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 69455826

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea (CID 69062724) is 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea is Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea?
The InChIKey is DCWXKPJQFSFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5OS/c1-10-16(17-18(23)24-9-25-19(17)29-10)11-5-6-15(14(22)7-11)27-20(28)26-13-4-2-3-12(21)8-13/h2-9H,1H3,(H2,23,24,25)(H2,26,27,28).
What are the key properties of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea?
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea has a molecular weight of 427.89 g/mol, XLogP of 5.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 69062724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).