1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide

C18H27N5O5 — CID 166614947

IUPAC1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O5/c1-21-11-14(17(26)20-18(21)27)16(25)19-10-13-4-3-12(22(13)2)9-15(24)23-5-7-28-8-6-23/h11-13H,3-10H2,1-2H3,(H,19,25)(H,20,26,27)/t12-,13+/m1/s1
InChIKeyIDLLGMGVNUHCCG-OLZOCXBDSA-N
MW393.44 g/mol
LogP-1.48
Rot. Bonds5

About 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide

1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 166614947) has the molecular formula C18H27N5O5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID166614947
Molecular FormulaC18H27N5O5
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Name1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O5/c1-21-11-14(17(26)20-18(21)27)16(25)19-10-13-4-3-12(22(13)2)9-15(24)23-5-7-28-8-6-23/h11-13H,3-10H2,1-2H3,(H,19,25)(H,20,26,27)/t12-,13+/m1/s1
InChIKeyIDLLGMGVNUHCCG-OLZOCXBDSA-N
XLogP-1.48
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide (CID 166614947) is 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide is CN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is IDLLGMGVNUHCCG-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H27N5O5/c1-21-11-14(17(26)20-18(21)27)16(25)19-10-13-4-3-12(22(13)2)9-15(24)23-5-7-28-8-6-23/h11-13H,3-10H2,1-2H3,(H,19,25)(H,20,26,27)/t12-,13+/m1/s1.
What are the key properties of 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 166614947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).