N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide

C21H19N3O3 — CID 121121063

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESCc1cncn(CCNC(=O)C2c3ccccc3Oc3ccccc32)c1=O
InChIInChI=1S/C21H19N3O3/c1-14-12-22-13-24(21(14)26)11-10-23-20(25)19-15-6-2-4-8-17(15)27-18-9-5-3-7-16(18)19/h2-9,12-13,19H,10-11H2,1H3,(H,23,25)
InChIKeyRFTRPBWCSFTZQM-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 121121063) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID121121063
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESCc1cncn(CCNC(=O)C2c3ccccc3Oc3ccccc32)c1=O
InChIInChI=1S/C21H19N3O3/c1-14-12-22-13-24(21(14)26)11-10-23-20(25)19-15-6-2-4-8-17(15)27-18-9-5-3-7-16(18)19/h2-9,12-13,19H,10-11H2,1H3,(H,23,25)
InChIKeyRFTRPBWCSFTZQM-UHFFFAOYSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide (CID 121121063) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide is Cc1cncn(CCNC(=O)C2c3ccccc3Oc3ccccc32)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is RFTRPBWCSFTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-12-22-13-24(21(14)26)11-10-23-20(25)19-15-6-2-4-8-17(15)27-18-9-5-3-7-16(18)19/h2-9,12-13,19H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 121121063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).