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

C20H14F2N6O2S — CID 69160394

IUPAC4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c12
InChIInChI=1S/C20H14F2N6O2S/c21-10-1-6-15(14(22)7-10)28-20(30)27-12-4-2-11(3-5-12)26-18(29)13-8-31-19-16(13)17(23)24-9-25-19/h1-9H,(H,26,29)(H2,23,24,25)(H2,27,28,30)
InChIKeyKBAFMLXIYFNOIK-UHFFFAOYSA-N
MW440.44 g/mol
LogP4.45
Rot. Bonds4

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

4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 69160394) has the molecular formula C20H14F2N6O2S and a molecular weight of 440.44 g/mol. Its IUPAC name is 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID69160394
Molecular FormulaC20H14F2N6O2S
Molecular Weight440.44 g/mol
Exact Mass440.09
IUPAC Name4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESNc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c12
InChIInChI=1S/C20H14F2N6O2S/c21-10-1-6-15(14(22)7-10)28-20(30)27-12-4-2-11(3-5-12)26-18(29)13-8-31-19-16(13)17(23)24-9-25-19/h1-9H,(H,26,29)(H2,23,24,25)(H2,27,28,30)
InChIKeyKBAFMLXIYFNOIK-UHFFFAOYSA-N
XLogP4.45
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69454538
4-amino-N-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69159899
CID 87724676
CID 87724676
3-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide
CID 25176101
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2,4-difluorophenyl)urea
CID 11395695
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 67219449
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-fluorophenyl)urea
CID 69060088
4-amino-N-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69456366
1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 11590505
[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70694601
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 69160394) is 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c12.
What is the InChIKey of 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KBAFMLXIYFNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O2S/c21-10-1-6-15(14(22)7-10)28-20(30)27-12-4-2-11(3-5-12)26-18(29)13-8-31-19-16(13)17(23)24-9-25-19/h1-9H,(H,26,29)(H2,23,24,25)(H2,27,28,30).
What are the key properties of 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 440.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 69160394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).