N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide

C16H18N4O2S — CID 177175438

IUPACN-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide
SMILESNC1(c2nccc(NS(=O)(=O)C3CC3)n2)Cc2ccccc2C1
InChIInChI=1S/C16H18N4O2S/c17-16(9-11-3-1-2-4-12(11)10-16)15-18-8-7-14(19-15)20-23(21,22)13-5-6-13/h1-4,7-8,13H,5-6,9-10,17H2,(H,18,19,20)
InChIKeyYQQLYXNFWIHSKY-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide

N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide (PubChem CID 177175438) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide
PubChem CID177175438
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide
SMILESNC1(c2nccc(NS(=O)(=O)C3CC3)n2)Cc2ccccc2C1
InChIInChI=1S/C16H18N4O2S/c17-16(9-11-3-1-2-4-12(11)10-16)15-18-8-7-14(19-15)20-23(21,22)13-5-6-13/h1-4,7-8,13H,5-6,9-10,17H2,(H,18,19,20)
InChIKeyYQQLYXNFWIHSKY-UHFFFAOYSA-N
XLogP1.33
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide (CID 177175438) is N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide is NC1(c2nccc(NS(=O)(=O)C3CC3)n2)Cc2ccccc2C1.
What is the InChIKey of N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide?
The InChIKey is YQQLYXNFWIHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-16(9-11-3-1-2-4-12(11)10-16)15-18-8-7-14(19-15)20-23(21,22)13-5-6-13/h1-4,7-8,13H,5-6,9-10,17H2,(H,18,19,20).
What are the key properties of N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide?
N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-dihydroinden-2-yl)pyrimidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 177175438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).