4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one

C15H23N5O6 — CID 56588302

IUPAC4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](C(=O)N3CCN(CCO)CC3)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C15H23N5O6/c16-9-1-2-20(15(25)17-9)14-11(23)10(22)12(26-14)13(24)19-5-3-18(4-6-19)7-8-21/h1-2,10-12,14,21-23H,3-8H2,(H2,16,17,25)/t10-,11+,12-,14+/m0/s1
InChIKeyVVHHVYNNLYDICX-KZVDOYCCSA-N
MW369.38 g/mol
LogP-3.42
Rot. Bonds4

About 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one (PubChem CID 56588302) has the molecular formula C15H23N5O6 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one
PubChem CID56588302
Molecular FormulaC15H23N5O6
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](C(=O)N3CCN(CCO)CC3)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C15H23N5O6/c16-9-1-2-20(15(25)17-9)14-11(23)10(22)12(26-14)13(24)19-5-3-18(4-6-19)7-8-21/h1-2,10-12,14,21-23H,3-8H2,(H2,16,17,25)/t10-,11+,12-,14+/m0/s1
InChIKeyVVHHVYNNLYDICX-KZVDOYCCSA-N
XLogP-3.42
TPSA154.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 5-3.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

4-amino-1-[(2R,3R,4S,5S)-5-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 53299554
1-[(2R,3R,4S,5S)-5-acetyl-3,4-dihydroxyoxolan-2-yl]-4-aminopyrimidin-2-one
CID 91488431
(2S,3S,4S,5R,6S)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylate
CID 121225533
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]oxolane-2-carboxamide
CID 51361708
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54100591
4-amino-1-[(2R,3S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71209795

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one (CID 56588302) is 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](C(=O)N3CCN(CCO)CC3)[C@@H](O)[C@H]2O)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one?
The InChIKey is VVHHVYNNLYDICX-KZVDOYCCSA-N. The full InChI is InChI=1S/C15H23N5O6/c16-9-1-2-20(15(25)17-9)14-11(23)10(22)12(26-14)13(24)19-5-3-18(4-6-19)7-8-21/h1-2,10-12,14,21-23H,3-8H2,(H2,16,17,25)/t10-,11+,12-,14+/m0/s1.
What are the key properties of 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one has a molecular weight of 369.38 g/mol, XLogP of -3.42, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 56588302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).