N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C14H20N4O6 — CID 91772540

IUPACN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O6/c1-18(2)11(19)7-24-10-6-23-4-3-9(10)16-12(20)8-5-15-14(22)17-13(8)21/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,20)(H2,15,17,21,22)/t9-,10-/m1/s1
InChIKeyBIGPCHIABVSCSX-NXEZZACHSA-N
MW340.34 g/mol
LogP-1.94
Rot. Bonds5

About N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 91772540) has the molecular formula C14H20N4O6 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID91772540
Molecular FormulaC14H20N4O6
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O6/c1-18(2)11(19)7-24-10-6-23-4-3-9(10)16-12(20)8-5-15-14(22)17-13(8)21/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,20)(H2,15,17,21,22)/t9-,10-/m1/s1
InChIKeyBIGPCHIABVSCSX-NXEZZACHSA-N
XLogP-1.94
TPSA133.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
CID 91785227
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 90647703
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
CID 91767911
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 91797893
N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 163309885
2-cyclopropyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 91772398
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 91765324
2-[(3S,4R)-4-[(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91793884

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 91772540) is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BIGPCHIABVSCSX-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20N4O6/c1-18(2)11(19)7-24-10-6-23-4-3-9(10)16-12(20)8-5-15-14(22)17-13(8)21/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,20)(H2,15,17,21,22)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of -1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91772540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).