5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

C13H14N4O3 — CID 166283375

IUPAC5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H]2C(N)[C@@H]2C1
InChIInChI=1S/C13H14N4O3/c1-5-8(9-11(18)15-4-16-12(9)20-5)13(19)17-2-6-7(3-17)10(6)14/h4,6-7,10H,2-3,14H2,1H3,(H,15,16,18)/t6-,7+,10?
InChIKeyQYGHRPPXQOFUGY-UZRSXYIYSA-N
MW274.28 g/mol
LogP-0.15
Rot. Bonds1

About 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 166283375) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID166283375
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H]2C(N)[C@@H]2C1
InChIInChI=1S/C13H14N4O3/c1-5-8(9-11(18)15-4-16-12(9)20-5)13(19)17-2-6-7(3-17)10(6)14/h4,6-7,10H,2-3,14H2,1H3,(H,15,16,18)/t6-,7+,10?
InChIKeyQYGHRPPXQOFUGY-UZRSXYIYSA-N
XLogP-0.15
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dihydroxypyrrolidine-1-carbonyl)-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 106671491
5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 79404295
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 120746997
ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 31940137
5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 55552011
6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 95978664
tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
CID 55869782
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 102785763
6-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 34820535
6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 55723104
5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 38510706
6-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 60981855

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (CID 166283375) is 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H]2C(N)[C@@H]2C1.
What is the InChIKey of 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is QYGHRPPXQOFUGY-UZRSXYIYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-5-8(9-11(18)15-4-16-12(9)20-5)13(19)17-2-6-7(3-17)10(6)14/h4,6-7,10H,2-3,14H2,1H3,(H,15,16,18)/t6-,7+,10?.
What are the key properties of 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 274.28 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166283375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).