N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H22N4O2 — CID 91776864

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCC23CCCN2CCC3)c(=O)[nH]1
InChIInChI=1S/C15H22N4O2/c1-11-17-10-12(14(21)18-11)13(20)16-7-6-15-4-2-8-19(15)9-3-5-15/h10H,2-9H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyMGGSVIJLTWEJIT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.83
Rot. Bonds4

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91776864) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91776864
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCC23CCCN2CCC3)c(=O)[nH]1
InChIInChI=1S/C15H22N4O2/c1-11-17-10-12(14(21)18-11)13(20)16-7-6-15-4-2-8-19(15)9-3-5-15/h10H,2-9H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyMGGSVIJLTWEJIT-UHFFFAOYSA-N
XLogP0.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 91776864) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCC23CCCN2CCC3)c(=O)[nH]1.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MGGSVIJLTWEJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-17-10-12(14(21)18-11)13(20)16-7-6-15-4-2-8-19(15)9-3-5-15/h10H,2-9H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91776864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).