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

C18H18N4O3 — CID 120746997

IUPAC5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H18N4O3/c1-10-14(15-16(23)20-9-21-17(15)25-10)18(24)22-7-12(13(19)8-22)11-5-3-2-4-6-11/h2-6,9,12-13H,7-8,19H2,1H3,(H,20,21,23)/t12-,13+/m0/s1
InChIKeyRQUMBBDOYUDDNX-QWHCGFSZSA-N
MW338.37 g/mol
LogP1.39
Rot. Bonds2

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

5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 120746997) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID120746997
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H18N4O3/c1-10-14(15-16(23)20-9-21-17(15)25-10)18(24)22-7-12(13(19)8-22)11-5-3-2-4-6-11/h2-6,9,12-13H,7-8,19H2,1H3,(H,20,21,23)/t12-,13+/m0/s1
InChIKeyRQUMBBDOYUDDNX-QWHCGFSZSA-N
XLogP1.39
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 55552011
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-bromo-1H-pyridin-2-one
CID 120748398
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 120747146
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 102785763
3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 72857453
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 120749362
(3R,4S)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133115618

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (CID 120746997) is 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is RQUMBBDOYUDDNX-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-10-14(15-16(23)20-9-21-17(15)25-10)18(24)22-7-12(13(19)8-22)11-5-3-2-4-6-11/h2-6,9,12-13H,7-8,19H2,1H3,(H,20,21,23)/t12-,13+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 338.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 120746997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).