5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

C14H17N3O4 — CID 102785763

IUPAC5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H17N3O4/c1-7-3-4-17(9(7)5-18)14(20)10-8(2)21-13-11(10)12(19)15-6-16-13/h6-7,9,18H,3-5H2,1-2H3,(H,15,16,19)
InChIKeyBCZVEABOAXLVLH-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.67
Rot. Bonds2

About 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 102785763) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID102785763
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H17N3O4/c1-7-3-4-17(9(7)5-18)14(20)10-8(2)21-13-11(10)12(19)15-6-16-13/h6-7,9,18H,3-5H2,1-2H3,(H,15,16,19)
InChIKeyBCZVEABOAXLVLH-UHFFFAOYSA-N
XLogP0.67
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.67
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
ethyl (3S)-1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 31940137
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
tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
CID 55869782
6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 55723104
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
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136880715
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 120746997

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (CID 102785763) is 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(C)C1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is BCZVEABOAXLVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-7-3-4-17(9(7)5-18)14(20)10-8(2)21-13-11(10)12(19)15-6-16-13/h6-7,9,18H,3-5H2,1-2H3,(H,15,16,19).
What are the key properties of 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 291.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 102785763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).