N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

C17H25N3O4 — CID 91761499

IUPACN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c(=O)n1
InChIInChI=1S/C17H25N3O4/c1-11-7-12(2)20(17(22)18-11)8-16(21)19-14-5-6-23-10-15(14)24-9-13-3-4-13/h7,13-15H,3-6,8-10H2,1-2H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyOPVVXEPUBMCWQI-HUUCEWRRSA-N
MW335.40 g/mol
LogP0.56
Rot. Bonds6

About N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 91761499) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID91761499
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c(=O)n1
InChIInChI=1S/C17H25N3O4/c1-11-7-12(2)20(17(22)18-11)8-16(21)19-14-5-6-23-10-15(14)24-9-13-3-4-13/h7,13-15H,3-6,8-10H2,1-2H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyOPVVXEPUBMCWQI-HUUCEWRRSA-N
XLogP0.56
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91762043
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 91760979
2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide
CID 156608390
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 91783447
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91760865
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91787158
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91780754
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 91787682
N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 146045074
2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
CID 91790443
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (CID 91761499) is N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is Cc1cc(C)n(CC(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c(=O)n1.
What is the InChIKey of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is OPVVXEPUBMCWQI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-7-12(2)20(17(22)18-11)8-16(21)19-14-5-6-23-10-15(14)24-9-13-3-4-13/h7,13-15H,3-6,8-10H2,1-2H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91761499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).