3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid

C15H16N6O4 — CID 67261869

IUPAC3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Nc2nc(N3CCC[C@H]3CO)nc3ccoc23)n[nH]1
InChIInChI=1S/C15H16N6O4/c22-7-8-2-1-4-21(8)15-16-9-3-5-25-12(9)13(18-15)17-11-6-10(14(23)24)19-20-11/h3,5-6,8,22H,1-2,4,7H2,(H,23,24)(H2,16,17,18,19,20)/t8-/m0/s1
InChIKeyUHDVGKXXGVAMIL-QMMMGPOBSA-N
MW344.33 g/mol
LogP1.35
Rot. Bonds5

About 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid

3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 67261869) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID67261869
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Nc2nc(N3CCC[C@H]3CO)nc3ccoc23)n[nH]1
InChIInChI=1S/C15H16N6O4/c22-7-8-2-1-4-21(8)15-16-9-3-5-25-12(9)13(18-15)17-11-6-10(14(23)24)19-20-11/h3,5-6,8,22H,1-2,4,7H2,(H,23,24)(H2,16,17,18,19,20)/t8-/m0/s1
InChIKeyUHDVGKXXGVAMIL-QMMMGPOBSA-N
XLogP1.35
TPSA140.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
CID 167600716
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 170982367
N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
CID 142498070
(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 137363515
(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 142498497
[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 46215470
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154
[(2S)-1-[2-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 137363576
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 118741310
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid (CID 67261869) is 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(Nc2nc(N3CCC[C@H]3CO)nc3ccoc23)n[nH]1.
What is the InChIKey of 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UHDVGKXXGVAMIL-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H16N6O4/c22-7-8-2-1-4-21(8)15-16-9-3-5-25-12(9)13(18-15)17-11-6-10(14(23)24)19-20-11/h3,5-6,8,22H,1-2,4,7H2,(H,23,24)(H2,16,17,18,19,20)/t8-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 344.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 67261869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).