6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C20H33N5O5 — CID 56525891

IUPAC6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCCC2CN2CC(C)OC(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C20H33N5O5/c1-13-9-23(10-14(2)30-13)11-15-5-4-6-24(15)12-16(26)17-18(21)25(7-8-29-3)20(28)22-19(17)27/h13-15H,4-12,21H2,1-3H3,(H,22,27,28)
InChIKeyIIGWJCVMNFGOLU-UHFFFAOYSA-N
MW423.51 g/mol
LogP-0.48
Rot. Bonds8

About 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 56525891) has the molecular formula C20H33N5O5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID56525891
Molecular FormulaC20H33N5O5
Molecular Weight423.51 g/mol
Exact Mass423.25
IUPAC Name6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCCC2CN2CC(C)OC(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C20H33N5O5/c1-13-9-23(10-14(2)30-13)11-15-5-4-6-24(15)12-16(26)17-18(21)25(7-8-29-3)20(28)22-19(17)27/h13-15H,4-12,21H2,1-3H3,(H,22,27,28)
InChIKeyIIGWJCVMNFGOLU-UHFFFAOYSA-N
XLogP-0.48
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526911
6-amino-1-(2-methoxyethyl)-5-[2-(3-methylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
CID 24564922
6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 35028305
6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56526778
6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 75512216
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]-6-amino-1-propylpyrimidine-2,4-dione
CID 11931412
6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 124738428
6-amino-5-[2-[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 124738427
6-amino-5-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 35024214
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
CID 110931949

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 56525891) is 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2CCCC2CN2CC(C)OC(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is IIGWJCVMNFGOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O5/c1-13-9-23(10-14(2)30-13)11-15-5-4-6-24(15)12-16(26)17-18(21)25(7-8-29-3)20(28)22-19(17)27/h13-15H,4-12,21H2,1-3H3,(H,22,27,28).
What are the key properties of 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 423.51 g/mol, XLogP of -0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56525891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).