1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea

C20H16FN5OS — CID 6540024

IUPAC1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2F)c1
InChIInChI=1S/C20H16FN5OS/c1-11-3-2-4-13(7-11)25-20(27)26-16-6-5-12(8-15(16)21)14-9-28-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyGSFKQDWVMKDKSA-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.03
Rot. Bonds3

About 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea

1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea (PubChem CID 6540024) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea
PubChem CID6540024
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2F)c1
InChIInChI=1S/C20H16FN5OS/c1-11-3-2-4-13(7-11)25-20(27)26-16-6-5-12(8-15(16)21)14-9-28-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyGSFKQDWVMKDKSA-UHFFFAOYSA-N
XLogP5.03
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 70
CID 6539978
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 16
CID 6539993
Thienopyrimidine deriv. 17
CID 6539994
Thienopyrimidine deriv. 18
CID 6539995

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea (CID 6540024) is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2F)c1.
What is the InChIKey of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea?
The InChIKey is GSFKQDWVMKDKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c1-11-3-2-4-13(7-11)25-20(27)26-16-6-5-12(8-15(16)21)14-9-28-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea?
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea has a molecular weight of 393.45 g/mol, XLogP of 5.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 6540024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).