methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate

C16H15FN4O3 — CID 135797457

IUPACmethyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2cc(C)n(Cc3ccc(F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C16H15FN4O3/c1-9-7-12-13(14(22)19-15(18-12)20-16(23)24-2)21(9)8-10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H2,18,19,20,22,23)
InChIKeyFLXFHAXBFRZGFN-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.40
Rot. Bonds3

About methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate

methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate (PubChem CID 135797457) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate
PubChem CID135797457
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Namemethyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2cc(C)n(Cc3ccc(F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C16H15FN4O3/c1-9-7-12-13(14(22)19-15(18-12)20-16(23)24-2)21(9)8-10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H2,18,19,20,22,23)
InChIKeyFLXFHAXBFRZGFN-UHFFFAOYSA-N
XLogP2.40
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[(4-chlorophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749908
2-amino-5-[(4-bromophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749909
2-amino-6-methyl-5-[(4-nitrophenyl)methyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749910
2-amino-5-benzyl-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749905
2-amino-6-methyl-5-(4-pyridylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749906
2-amino-5-[(4-fluorophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749907
2-amino-5-[(3,5-dibromophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749914
1,3,5-Trimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10266501
6-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 71563048
N-(4-fluorophenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide
CID 164617067
2-amino-5-[(3,5-dichlorophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749913
N-(4-fluorobenzyl)-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide
CID 91908748

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate?
The IUPAC name of methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate (CID 135797457) is methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate is COC(=O)Nc1nc2cc(C)n(Cc3ccc(F)cc3)c2c(=O)[nH]1.
What is the InChIKey of methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate?
The InChIKey is FLXFHAXBFRZGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-9-7-12-13(14(22)19-15(18-12)20-16(23)24-2)21(9)8-10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H2,18,19,20,22,23).
What are the key properties of methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate?
methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate has a molecular weight of 330.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]carbamate is sourced from PubChem (CID 135797457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).