4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one

C9H14N4O2 — CID 142042837

IUPAC4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2CCC(CO)N2)c(=O)n1
InChIInChI=1S/C9H14N4O2/c10-7-3-4-13(9(15)12-7)8-2-1-6(5-14)11-8/h3-4,6,8,11,14H,1-2,5H2,(H2,10,12,15)
InChIKeyLLICAWSKGGRYRY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.93
Rot. Bonds2

About 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one

4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one (PubChem CID 142042837) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one
PubChem CID142042837
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2CCC(CO)N2)c(=O)n1
InChIInChI=1S/C9H14N4O2/c10-7-3-4-13(9(15)12-7)8-2-1-6(5-14)11-8/h3-4,6,8,11,14H,1-2,5H2,(H2,10,12,15)
InChIKeyLLICAWSKGGRYRY-UHFFFAOYSA-N
XLogP-0.93
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 142192955
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
4-amino-1-[(4R,6S)-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-yl]pyrimidin-2-one
CID 143920104
4-amino-1-[(5S)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 134312316
sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride
CID 175228368
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,3S,5S)-3-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 155736143
4-amino-1-[(2S,3S,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 10588718

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one (CID 142042837) is 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one is Nc1ccn(C2CCC(CO)N2)c(=O)n1.
What is the InChIKey of 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one?
The InChIKey is LLICAWSKGGRYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-3-4-13(9(15)12-7)8-2-1-6(5-14)11-8/h3-4,6,8,11,14H,1-2,5H2,(H2,10,12,15).
What are the key properties of 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one?
4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one is sourced from PubChem (CID 142042837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).