6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one

C9H15N3O6 — CID 67600856

IUPAC6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one
SMILESNC1=NC(=O)N([C@]2(O)O[C@H](CO)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C9H15N3O6/c10-5-1-2-12(8(16)11-5)9(17)7(15)6(14)4(3-13)18-9/h4,6-7,13-15,17H,1-3H2,(H2,10,11,16)/t4-,6-,7-,9-/m1/s1
InChIKeyYHVUYDAYASVPLY-FJGDRVTGSA-N
MW261.23 g/mol
LogP-3.07
Rot. Bonds2

About 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one

6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one (PubChem CID 67600856) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one
PubChem CID67600856
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one
SMILESNC1=NC(=O)N([C@]2(O)O[C@H](CO)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C9H15N3O6/c10-5-1-2-12(8(16)11-5)9(17)7(15)6(14)4(3-13)18-9/h4,6-7,13-15,17H,1-3H2,(H2,10,11,16)/t4-,6-,7-,9-/m1/s1
InChIKeyYHVUYDAYASVPLY-FJGDRVTGSA-N
XLogP-3.07
TPSA148.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-3.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one (CID 67600856) is 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one is NC1=NC(=O)N([C@]2(O)O[C@H](CO)[C@@H](O)[C@H]2O)CC1.
What is the InChIKey of 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one?
The InChIKey is YHVUYDAYASVPLY-FJGDRVTGSA-N. The full InChI is InChI=1S/C9H15N3O6/c10-5-1-2-12(8(16)11-5)9(17)7(15)6(14)4(3-13)18-9/h4,6-7,13-15,17H,1-3H2,(H2,10,11,16)/t4-,6-,7-,9-/m1/s1.
What are the key properties of 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one?
6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one has a molecular weight of 261.23 g/mol, XLogP of -3.07, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydropyrimidin-2-one is sourced from PubChem (CID 67600856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).