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

C15H24N4O5 — CID 35028305

IUPAC6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2C[C@@H](C)OC[C@@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O5/c1-9-8-24-10(2)6-18(9)7-11(20)12-13(16)19(4-5-23-3)15(22)17-14(12)21/h9-10H,4-8,16H2,1-3H3,(H,17,21,22)/t9-,10+/m0/s1
InChIKeyRCZTYHCXIUCEQG-VHSXEESVSA-N
MW340.38 g/mol
LogP-0.94
Rot. Bonds6

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

6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 35028305) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID35028305
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2C[C@@H](C)OC[C@@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O5/c1-9-8-24-10(2)6-18(9)7-11(20)12-13(16)19(4-5-23-3)15(22)17-14(12)21/h9-10H,4-8,16H2,1-3H3,(H,17,21,22)/t9-,10+/m0/s1
InChIKeyRCZTYHCXIUCEQG-VHSXEESVSA-N
XLogP-0.94
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 35028305) is 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2C[C@@H](C)OC[C@@H]2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is RCZTYHCXIUCEQG-VHSXEESVSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-9-8-24-10(2)6-18(9)7-11(20)12-13(16)19(4-5-23-3)15(22)17-14(12)21/h9-10H,4-8,16H2,1-3H3,(H,17,21,22)/t9-,10+/m0/s1.
What are the key properties of 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 35028305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).