N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide

C22H20N4O2 — CID 71794910

IUPACN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H20N4O2/c27-22(25-19-13-20(24-14-23-19)26-11-5-6-12-26)21-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)21/h1-4,7-10,13-14,21H,5-6,11-12H2,(H,23,24,25,27)
InChIKeyBMILVSBYXDDBPB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.95
Rot. Bonds3

About N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide

N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide (PubChem CID 71794910) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide
PubChem CID71794910
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H20N4O2/c27-22(25-19-13-20(24-14-23-19)26-11-5-6-12-26)21-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)21/h1-4,7-10,13-14,21H,5-6,11-12H2,(H,23,24,25,27)
InChIKeyBMILVSBYXDDBPB-UHFFFAOYSA-N
XLogP3.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide (CID 71794910) is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide is O=C(Nc1cc(N2CCCC2)ncn1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide?
The InChIKey is BMILVSBYXDDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22(25-19-13-20(24-14-23-19)26-11-5-6-12-26)21-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)21/h1-4,7-10,13-14,21H,5-6,11-12H2,(H,23,24,25,27).
What are the key properties of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide?
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71794910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).