N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide

C15H23N3O4 — CID 162940499

IUPACN-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1
InChIInChI=1S/C15H23N3O4/c1-9(2)8-13(20)16-12-6-7-18(15(21)17-12)14-5-4-11(19)10(3)22-14/h6-7,9-11,14,19H,4-5,8H2,1-3H3,(H,16,17,20,21)
InChIKeyJHEDAHBBVHHXFP-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide

N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide (PubChem CID 162940499) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
PubChem CID162940499
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1
InChIInChI=1S/C15H23N3O4/c1-9(2)8-13(20)16-12-6-7-18(15(21)17-12)14-5-4-11(19)10(3)22-14/h6-7,9-11,14,19H,4-5,8H2,1-3H3,(H,16,17,20,21)
InChIKeyJHEDAHBBVHHXFP-UHFFFAOYSA-N
XLogP1.29
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide
CID 162814098
N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 142536936
(3R)-3-amino-N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide
CID 163922731
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-amino-3-hydroxybutanoate;methanol
CID 156825372
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane
CID 163774836
N-[1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 10469892
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 142604179
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775
[(2S,5R)-5-[2-oxo-4-[[(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoyl]amino]pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 53382096

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide (CID 162940499) is N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1.
What is the InChIKey of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide?
The InChIKey is JHEDAHBBVHHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9(2)8-13(20)16-12-6-7-18(15(21)17-12)14-5-4-11(19)10(3)22-14/h6-7,9-11,14,19H,4-5,8H2,1-3H3,(H,16,17,20,21).
What are the key properties of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide?
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide has a molecular weight of 309.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 162940499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).