N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide

C12H17N3O4 — CID 155211573

IUPACN-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)OC1
InChIInChI=1S/C12H17N3O4/c1-7-5-15(12(18)14-11(7)17)10-4-3-9(6-19-10)13-8(2)16/h5,9-10H,3-4,6H2,1-2H3,(H,13,16)(H,14,17,18)/t9-,10-/m1/s1
InChIKeyLDPAUILJDCKWJO-NXEZZACHSA-N
MW267.28 g/mol
LogP-0.34
Rot. Bonds2

About N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide

N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide (PubChem CID 155211573) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide
PubChem CID155211573
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)OC1
InChIInChI=1S/C12H17N3O4/c1-7-5-15(12(18)14-11(7)17)10-4-3-9(6-19-10)13-8(2)16/h5,9-10H,3-4,6H2,1-2H3,(H,13,16)(H,14,17,18)/t9-,10-/m1/s1
InChIKeyLDPAUILJDCKWJO-NXEZZACHSA-N
XLogP-0.34
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide?
The IUPAC name of N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide (CID 155211573) is N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)OC1.
What is the InChIKey of N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide?
The InChIKey is LDPAUILJDCKWJO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-5-15(12(18)14-11(7)17)10-4-3-9(6-19-10)13-8(2)16/h5,9-10H,3-4,6H2,1-2H3,(H,13,16)(H,14,17,18)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide?
N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide has a molecular weight of 267.28 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl]acetamide is sourced from PubChem (CID 155211573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).