4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide

C14H14N4OS — CID 71160600

IUPAC4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide
SMILESCc1csc2c(NC3C=CC(C(N)=O)=CC3)ncnc12
InChIInChI=1S/C14H14N4OS/c1-8-6-20-12-11(8)16-7-17-14(12)18-10-4-2-9(3-5-10)13(15)19/h2-4,6-7,10H,5H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyYNEJBGPABAQMQQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.15
Rot. Bonds3

About 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide

4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 71160600) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide
PubChem CID71160600
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide
SMILESCc1csc2c(NC3C=CC(C(N)=O)=CC3)ncnc12
InChIInChI=1S/C14H14N4OS/c1-8-6-20-12-11(8)16-7-17-14(12)18-10-4-2-9(3-5-10)13(15)19/h2-4,6-7,10H,5H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyYNEJBGPABAQMQQ-UHFFFAOYSA-N
XLogP2.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide (CID 71160600) is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide is Cc1csc2c(NC3C=CC(C(N)=O)=CC3)ncnc12.
What is the InChIKey of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is YNEJBGPABAQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-6-20-12-11(8)16-7-17-14(12)18-10-4-2-9(3-5-10)13(15)19/h2-4,6-7,10H,5H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide?
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71160600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).