6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C18H28N4O4 — CID 95873893

IUPAC6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@@H](C)N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O4/c1-12-15(17(24)20-18(25)19-12)11-16(23)22-5-3-14(4-6-22)13(2)21-7-9-26-10-8-21/h13-14H,3-11H2,1-2H3,(H2,19,20,24,25)/t13-/m1/s1
InChIKeyHKYRKHFVBBXPIK-CYBMUJFWSA-N
MW364.45 g/mol
LogP-0.13
Rot. Bonds4

About 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 95873893) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID95873893
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@@H](C)N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O4/c1-12-15(17(24)20-18(25)19-12)11-16(23)22-5-3-14(4-6-22)13(2)21-7-9-26-10-8-21/h13-14H,3-11H2,1-2H3,(H2,19,20,24,25)/t13-/m1/s1
InChIKeyHKYRKHFVBBXPIK-CYBMUJFWSA-N
XLogP-0.13
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 95873893) is 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@@H](C)N2CCOCC2)CC1.
What is the InChIKey of 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HKYRKHFVBBXPIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-12-15(17(24)20-18(25)19-12)11-16(23)22-5-3-14(4-6-22)13(2)21-7-9-26-10-8-21/h13-14H,3-11H2,1-2H3,(H2,19,20,24,25)/t13-/m1/s1.
What are the key properties of 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95873893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).