6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C17H26N4O6 — CID 56526778

IUPAC6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCC(C3OCCO3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N4O6/c1-25-7-6-21-14(18)13(15(23)19-17(21)24)12(22)10-20-4-2-11(3-5-20)16-26-8-9-27-16/h11,16H,2-10,18H2,1H3,(H,19,23,24)
InChIKeyOGVNEEPSXWROBK-UHFFFAOYSA-N
MW382.42 g/mol
LogP-0.97
Rot. Bonds7

About 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 56526778) has the molecular formula C17H26N4O6 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID56526778
Molecular FormulaC17H26N4O6
Molecular Weight382.42 g/mol
Exact Mass382.19
IUPAC Name6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCC(C3OCCO3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N4O6/c1-25-7-6-21-14(18)13(15(23)19-17(21)24)12(22)10-20-4-2-11(3-5-20)16-26-8-9-27-16/h11,16H,2-10,18H2,1H3,(H,19,23,24)
InChIKeyOGVNEEPSXWROBK-UHFFFAOYSA-N
XLogP-0.97
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 5-0.97
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-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 56526778) is 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2CCC(C3OCCO3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is OGVNEEPSXWROBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O6/c1-25-7-6-21-14(18)13(15(23)19-17(21)24)12(22)10-20-4-2-11(3-5-20)16-26-8-9-27-16/h11,16H,2-10,18H2,1H3,(H,19,23,24).
What are the key properties of 6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of -0.97, 7 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-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56526778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).