5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C8H12N4O2 — CID 136900943

IUPAC5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CC[C@H](O)C2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3,9H2,(H,10,11,14)/t5-/m0/s1
InChIKeyUGWJHIBHHUAHBY-YFKPBYRVSA-N
MW196.21 g/mol
LogP-1.08
Rot. Bonds1

About 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900943) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136900943
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CC[C@H](O)C2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3,9H2,(H,10,11,14)/t5-/m0/s1
InChIKeyUGWJHIBHHUAHBY-YFKPBYRVSA-N
XLogP-1.08
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-5-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136652725
9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136355147
(9R)-9-(hydroxymethyl)-9-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-purin-9-ium-6-one
CID 136375537
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689234
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689235
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706908
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524
5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781037
5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811790

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136900943) is 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CC[C@H](O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UGWJHIBHHUAHBY-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3,9H2,(H,10,11,14)/t5-/m0/s1.
What are the key properties of 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).