N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C12H17N3O5 — CID 91784136

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)N[C@@H]2CCOC[C@H]2O)c1=O
InChIInChI=1S/C12H17N3O5/c1-15-11(18)7(5-13-12(15)19)4-10(17)14-8-2-3-20-6-9(8)16/h5,8-9,16H,2-4,6H2,1H3,(H,13,19)(H,14,17)/t8-,9-/m1/s1
InChIKeyZIVCDOGKADAMRB-RKDXNWHRSA-N
MW283.28 g/mol
LogP-2.12
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91784136) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91784136
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)N[C@@H]2CCOC[C@H]2O)c1=O
InChIInChI=1S/C12H17N3O5/c1-15-11(18)7(5-13-12(15)19)4-10(17)14-8-2-3-20-6-9(8)16/h5,8-9,16H,2-4,6H2,1H3,(H,13,19)(H,14,17)/t8-,9-/m1/s1
InChIKeyZIVCDOGKADAMRB-RKDXNWHRSA-N
XLogP-2.12
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91784136) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cn1c(=O)[nH]cc(CC(=O)N[C@@H]2CCOC[C@H]2O)c1=O.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is ZIVCDOGKADAMRB-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-15-11(18)7(5-13-12(15)19)4-10(17)14-8-2-3-20-6-9(8)16/h5,8-9,16H,2-4,6H2,1H3,(H,13,19)(H,14,17)/t8-,9-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 283.28 g/mol, XLogP of -2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91784136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).