2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one

C11H17N3O4 — CID 158358779

IUPAC2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)C[C@H]1c1cnc(N)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-11(18)7(2-5(4-15)8(11)16)6-3-13-10(12)14-9(6)17/h3,5,7-8,15-16,18H,2,4H2,1H3,(H3,12,13,14,17)/t5-,7+,8-,11+/m1/s1
InChIKeyUKRAKNUQLCWXBU-DCWRLNLKSA-N
MW255.27 g/mol
LogP-1.44
Rot. Bonds2

About 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one

2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one (PubChem CID 158358779) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one
PubChem CID158358779
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)C[C@H]1c1cnc(N)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-11(18)7(2-5(4-15)8(11)16)6-3-13-10(12)14-9(6)17/h3,5,7-8,15-16,18H,2,4H2,1H3,(H3,12,13,14,17)/t5-,7+,8-,11+/m1/s1
InChIKeyUKRAKNUQLCWXBU-DCWRLNLKSA-N
XLogP-1.44
TPSA132.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one (CID 158358779) is 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one is C[C@@]1(O)[C@H](O)[C@@H](CO)C[C@H]1c1cnc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one?
The InChIKey is UKRAKNUQLCWXBU-DCWRLNLKSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(18)7(2-5(4-15)8(11)16)6-3-13-10(12)14-9(6)17/h3,5,7-8,15-16,18H,2,4H2,1H3,(H3,12,13,14,17)/t5-,7+,8-,11+/m1/s1.
What are the key properties of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one?
2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -1.44, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 158358779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).