6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C17H19N5O3 — CID 167912577

IUPAC6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CC[C@@H](NCc3cc4cccnc4o3)C2)[nH]c1=O
InChIInChI=1S/C17H19N5O3/c1-21-15(23)8-14(20-17(21)24)22-6-4-12(10-22)19-9-13-7-11-3-2-5-18-16(11)25-13/h2-3,5,7-8,12,19H,4,6,9-10H2,1H3,(H,20,24)/t12-/m1/s1
InChIKeyQKFSJAGRZKZAFD-GFCCVEGCSA-N
MW341.37 g/mol
LogP0.58
Rot. Bonds4

About 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 167912577) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID167912577
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CC[C@@H](NCc3cc4cccnc4o3)C2)[nH]c1=O
InChIInChI=1S/C17H19N5O3/c1-21-15(23)8-14(20-17(21)24)22-6-4-12(10-22)19-9-13-7-11-3-2-5-18-16(11)25-13/h2-3,5,7-8,12,19H,4,6,9-10H2,1H3,(H,20,24)/t12-/m1/s1
InChIKeyQKFSJAGRZKZAFD-GFCCVEGCSA-N
XLogP0.58
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-[(3S)-3-[(1-phenylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167814865
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CID 146153740
3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 146112985
6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 56770229
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 126946488
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067
6-[(3S)-3-[(2-ethoxynaphthalen-1-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167879396
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CID 166429161
6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 138014765
3-[3-(methylamino)piperidin-1-yl]-2H-isoquinolin-1-one
CID 55084279
3-methyl-6-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126863992
6-[(3S)-3-[[2-methyl-4-(2-methylimidazol-1-yl)phenyl]methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167881327

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 167912577) is 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CC[C@@H](NCc3cc4cccnc4o3)C2)[nH]c1=O.
What is the InChIKey of 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is QKFSJAGRZKZAFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-15(23)8-14(20-17(21)24)22-6-4-12(10-22)19-9-13-7-11-3-2-5-18-16(11)25-13/h2-3,5,7-8,12,19H,4,6,9-10H2,1H3,(H,20,24)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167912577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).