N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C20H21FN4O — CID 56893570

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCCC(c3ccc(F)cc3)c3ccco3)n1)CNC2
InChIInChI=1S/C20H21FN4O/c1-13-24-18-12-22-11-17(18)20(25-13)23-9-8-16(19-3-2-10-26-19)14-4-6-15(21)7-5-14/h2-7,10,16,22H,8-9,11-12H2,1H3,(H,23,24,25)
InChIKeyMGLQWAKUGXMZMZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.75
Rot. Bonds6

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56893570) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56893570
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCCC(c3ccc(F)cc3)c3ccco3)n1)CNC2
InChIInChI=1S/C20H21FN4O/c1-13-24-18-12-22-11-17(18)20(25-13)23-9-8-16(19-3-2-10-26-19)14-4-6-15(21)7-5-14/h2-7,10,16,22H,8-9,11-12H2,1H3,(H,23,24,25)
InChIKeyMGLQWAKUGXMZMZ-UHFFFAOYSA-N
XLogP3.75
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136799271
5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine
CID 97137063
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 97454241
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 2026875
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 131894709
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
CID 131949654
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643235
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643237
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 131949176
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56893570) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(NCCC(c3ccc(F)cc3)c3ccco3)n1)CNC2.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MGLQWAKUGXMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-24-18-12-22-11-17(18)20(25-13)23-9-8-16(19-3-2-10-26-19)14-4-6-15(21)7-5-14/h2-7,10,16,22H,8-9,11-12H2,1H3,(H,23,24,25).
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 352.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56893570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).