4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one

C19H33N3O4 — CID 69432831

IUPAC4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCCCCCOC[C@H]1O[C@@H](n2ccc(N)nc2=O)CC1OCCCCC
InChIInChI=1S/C19H33N3O4/c1-3-5-7-11-24-14-16-15(25-12-8-6-4-2)13-18(26-16)22-10-9-17(20)21-19(22)23/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H2,20,21,23)/t15?,16-,18-/m1/s1
InChIKeyUAESCEJYGRLNTI-WOEZKJSCSA-N
MW367.49 g/mol
LogP2.90
Rot. Bonds12

About 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 69432831) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID69432831
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCCCCCOC[C@H]1O[C@@H](n2ccc(N)nc2=O)CC1OCCCCC
InChIInChI=1S/C19H33N3O4/c1-3-5-7-11-24-14-16-15(25-12-8-6-4-2)13-18(26-16)22-10-9-17(20)21-19(22)23/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H2,20,21,23)/t15?,16-,18-/m1/s1
InChIKeyUAESCEJYGRLNTI-WOEZKJSCSA-N
XLogP2.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22844691
[5-(4-amino-2-oxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate
CID 142834334
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(icosoxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 22792056
calcium [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[butoxy(oxido)phosphoryl]oxymethyl]oxolan-3-yl] butyl phosphate
CID 157083487
4-amino-1-[(2R,4S,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58332720
4-amino-1-[(2R,5R)-4-[(tert-butyldisulfanyl)methoxy]-5-propyloxolan-2-yl]pyrimidin-2-one
CID 153455739
[(2R,5R)-3-acetyloxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 57128979
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-amino-1-[(2R,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]pyrimidin-2-one
CID 58060006
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hypobromite
CID 57150003
[(2R,3R,5R)-3-(2-amino-3-methylbutanoyl)oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate
CID 10113181
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 69432831) is 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one is CCCCCOC[C@H]1O[C@@H](n2ccc(N)nc2=O)CC1OCCCCC.
What is the InChIKey of 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is UAESCEJYGRLNTI-WOEZKJSCSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-3-5-7-11-24-14-16-15(25-12-8-6-4-2)13-18(26-16)22-10-9-17(20)21-19(22)23/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H2,20,21,23)/t15?,16-,18-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 69432831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).