5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C8H12N4O3 — CID 136766522

IUPAC5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CC(O)C(O)C2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2,9H2,(H,10,11,15)
InChIKeyDVMWYAGLZKVRMC-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.11
Rot. Bonds1

About 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136766522) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136766522
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CC(O)C(O)C2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2,9H2,(H,10,11,15)
InChIKeyDVMWYAGLZKVRMC-UHFFFAOYSA-N
XLogP-2.11
TPSA115.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136766522) is 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CC(O)C(O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DVMWYAGLZKVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2,9H2,(H,10,11,15).
What are the key properties of 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 212.21 g/mol, XLogP of -2.11, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136766522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).