N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide

C16H14N4OS — CID 26040319

IUPACN-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2ncnc3sccc23)cc1)C1CC1
InChIInChI=1S/C16H14N4OS/c21-15(10-1-2-10)20-12-5-3-11(4-6-12)19-14-13-7-8-22-16(13)18-9-17-14/h3-10H,1-2H2,(H,20,21)(H,17,18,19)
InChIKeyYWVSIUIGSGZFAN-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide

N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide (PubChem CID 26040319) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide
PubChem CID26040319
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2ncnc3sccc23)cc1)C1CC1
InChIInChI=1S/C16H14N4OS/c21-15(10-1-2-10)20-12-5-3-11(4-6-12)19-14-13-7-8-22-16(13)18-9-17-14/h3-10H,1-2H2,(H,20,21)(H,17,18,19)
InChIKeyYWVSIUIGSGZFAN-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide (CID 26040319) is N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2ncnc3sccc23)cc1)C1CC1.
What is the InChIKey of N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is YWVSIUIGSGZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(10-1-2-10)20-12-5-3-11(4-6-12)19-14-13-7-8-22-16(13)18-9-17-14/h3-10H,1-2H2,(H,20,21)(H,17,18,19).
What are the key properties of N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide?
N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 26040319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).