4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

C20H15FN6O2S — CID 69454538

IUPAC4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNc1ncnc2scc(C(=O)Nc3cccc(NC(=O)Nc4cccc(F)c4)c3)c12
InChIInChI=1S/C20H15FN6O2S/c21-11-3-1-4-12(7-11)26-20(29)27-14-6-2-5-13(8-14)25-18(28)15-9-30-19-16(15)17(22)23-10-24-19/h1-10H,(H,25,28)(H2,22,23,24)(H2,26,27,29)
InChIKeyCVDDNVJBRDBNQO-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.31
Rot. Bonds4

About 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 69454538) has the molecular formula C20H15FN6O2S and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID69454538
Molecular FormulaC20H15FN6O2S
Molecular Weight422.45 g/mol
Exact Mass422.10
IUPAC Name4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNc1ncnc2scc(C(=O)Nc3cccc(NC(=O)Nc4cccc(F)c4)c3)c12
InChIInChI=1S/C20H15FN6O2S/c21-11-3-1-4-12(7-11)26-20(29)27-14-6-2-5-13(8-14)25-18(28)15-9-30-19-16(15)17(22)23-10-24-19/h1-10H,(H,25,28)(H2,22,23,24)(H2,26,27,29)
InChIKeyCVDDNVJBRDBNQO-UHFFFAOYSA-N
XLogP4.31
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide 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

4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69160394
4-amino-N-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69159899
4-amino-N-[3-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69162377
4-amino-N-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69456366
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3-chlorophenyl)urea
CID 69054409
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10127473
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)-2-fluorophenyl]-3-(3-fluorophenyl)urea
CID 69060088
CID 87724676
CID 87724676
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 69454538) is 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is Nc1ncnc2scc(C(=O)Nc3cccc(NC(=O)Nc4cccc(F)c4)c3)c12.
What is the InChIKey of 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CVDDNVJBRDBNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2S/c21-11-3-1-4-12(7-11)26-20(29)27-14-6-2-5-13(8-14)25-18(28)15-9-30-19-16(15)17(22)23-10-24-19/h1-10H,(H,25,28)(H2,22,23,24)(H2,26,27,29).
What are the key properties of 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 69454538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).