7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one

C13H17N3O3 — CID 161182398

IUPAC7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CC=C2CN1C[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C13H17N3O3/c17-6-9-4-16(5-11(9)18)3-8-1-2-10-12(8)14-7-15-13(10)19/h1,7,9,11,17-18H,2-6H2,(H,14,15,19)/t9-,11+/m1/s1
InChIKeyYFXVMHQQBCAMGP-KOLCDFICSA-N
MW263.30 g/mol
LogP-1.01
Rot. Bonds3

About 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one

7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one (PubChem CID 161182398) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
PubChem CID161182398
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CC=C2CN1C[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C13H17N3O3/c17-6-9-4-16(5-11(9)18)3-8-1-2-10-12(8)14-7-15-13(10)19/h1,7,9,11,17-18H,2-6H2,(H,14,15,19)/t9-,11+/m1/s1
InChIKeyYFXVMHQQBCAMGP-KOLCDFICSA-N
XLogP-1.01
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

7-[[(3S,4S)-3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 136600959
7-[(1R,3R)-2,2-difluoro-1,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 160754219
(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 159692716
(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 159854721
butanedioic acid;(E)-but-2-enedioic acid;7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135964448
(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol
CID 159562065
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
7-[[(3S,4R)-3-(5-aminopentyl)-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136600937
[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate
CID 158014829
7-[[(3S,4S)-3-hydroxy-4-(2-phenylethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981803
1-[(2,6-difluoro-5-methyl-3-pyridinyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
CID 71158492
4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol
CID 131142933

Frequently Asked Questions

What is the IUPAC name of 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one (CID 161182398) is 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]cnc2c1CC=C2CN1C[C@H](CO)[C@@H](O)C1.
What is the InChIKey of 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is YFXVMHQQBCAMGP-KOLCDFICSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-6-9-4-16(5-11(9)18)3-8-1-2-10-12(8)14-7-15-13(10)19/h1,7,9,11,17-18H,2-6H2,(H,14,15,19)/t9-,11+/m1/s1.
What are the key properties of 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 161182398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).