2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C14H20N4O5 — CID 139622844

IUPAC2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESC=C1[C@H](n2ccc(NC(=O)CN(C)C)nc2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C14H20N4O5/c1-8-12(21)9(7-19)23-13(8)18-5-4-10(16-14(18)22)15-11(20)6-17(2)3/h4-5,9,12-13,19,21H,1,6-7H2,2-3H3,(H,15,16,20,22)/t9-,12+,13-/m1/s1
InChIKeyDHODSIIXIFTTHC-JIMOISOXSA-N
MW324.34 g/mol
LogP-1.45
Rot. Bonds5

About 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 139622844) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID139622844
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Name2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESC=C1[C@H](n2ccc(NC(=O)CN(C)C)nc2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C14H20N4O5/c1-8-12(21)9(7-19)23-13(8)18-5-4-10(16-14(18)22)15-11(20)6-17(2)3/h4-5,9,12-13,19,21H,1,6-7H2,2-3H3,(H,15,16,20,22)/t9-,12+,13-/m1/s1
InChIKeyDHODSIIXIFTTHC-JIMOISOXSA-N
XLogP-1.45
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 139622913
2-(1H-benzimidazol-2-yl)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 139622856
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one;hydrate
CID 67948808
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentanamide
CID 12773994
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,3,3-trifluoropropanamide
CID 170902536
N-[1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octanamide
CID 46832253
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]decanamide
CID 132572697
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 101114239
(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-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]nonadecanamide
CID 12851376
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 139622844) is 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is C=C1[C@H](n2ccc(NC(=O)CN(C)C)nc2=O)O[C@H](CO)[C@H]1O.
What is the InChIKey of 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is DHODSIIXIFTTHC-JIMOISOXSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-8-12(21)9(7-19)23-13(8)18-5-4-10(16-14(18)22)15-11(20)6-17(2)3/h4-5,9,12-13,19,21H,1,6-7H2,2-3H3,(H,15,16,20,22)/t9-,12+,13-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 324.34 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 139622844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).