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

C21H35N5O5 — CID 56526911

IUPAC6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCC(CN3CC(C)OC(C)C3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H35N5O5/c1-14-10-25(11-15(2)31-14)12-16-4-6-24(7-5-16)13-17(27)18-19(22)26(8-9-30-3)21(29)23-20(18)28/h14-16H,4-13,22H2,1-3H3,(H,23,28,29)
InChIKeyVLGYLKJHDQLQOF-UHFFFAOYSA-N
MW437.54 g/mol
LogP-0.23
Rot. Bonds8

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

6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 56526911) has the molecular formula C21H35N5O5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID56526911
Molecular FormulaC21H35N5O5
Molecular Weight437.54 g/mol
Exact Mass437.26
IUPAC Name6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCC(CN3CC(C)OC(C)C3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H35N5O5/c1-14-10-25(11-15(2)31-14)12-16-4-6-24(7-5-16)13-17(27)18-19(22)26(8-9-30-3)21(29)23-20(18)28/h14-16H,4-13,22H2,1-3H3,(H,23,28,29)
InChIKeyVLGYLKJHDQLQOF-UHFFFAOYSA-N
XLogP-0.23
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 56526911) is 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2CCC(CN3CC(C)OC(C)C3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is VLGYLKJHDQLQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O5/c1-14-10-25(11-15(2)31-14)12-16-4-6-24(7-5-16)13-17(27)18-19(22)26(8-9-30-3)21(29)23-20(18)28/h14-16H,4-13,22H2,1-3H3,(H,23,28,29).
What are the key properties of 6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 437.54 g/mol, XLogP of -0.23, 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-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56526911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).