N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine

C20H25FN4O — CID 124782278

IUPACN-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine
SMILESFc1cccc(CN2CC[C@@H]3OCC[C@]3(CCNc3ncccn3)C2)c1
InChIInChI=1S/C20H25FN4O/c21-17-4-1-3-16(13-17)14-25-11-5-18-20(15-25,7-12-26-18)6-10-24-19-22-8-2-9-23-19/h1-4,8-9,13,18H,5-7,10-12,14-15H2,(H,22,23,24)/t18-,20+/m0/s1
InChIKeyFYEWOASVRHCTCE-AZUAARDMSA-N
MW356.44 g/mol
LogP3.10
Rot. Bonds6

About N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine

N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine (PubChem CID 124782278) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine
PubChem CID124782278
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC NameN-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine
SMILESFc1cccc(CN2CC[C@@H]3OCC[C@]3(CCNc3ncccn3)C2)c1
InChIInChI=1S/C20H25FN4O/c21-17-4-1-3-16(13-17)14-25-11-5-18-20(15-25,7-12-26-18)6-10-24-19-22-8-2-9-23-19/h1-4,8-9,13,18H,5-7,10-12,14-15H2,(H,22,23,24)/t18-,20+/m0/s1
InChIKeyFYEWOASVRHCTCE-AZUAARDMSA-N
XLogP3.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[2-[(3aS,7aR)-5-[(4-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine
CID 97476325
N-[2-[(3aS,7aR)-5-(pyridin-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrrolidine-1-carboxamide
CID 97482396
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
N-[[(3R,3aR,6aR)-5-[(3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
CID 124782933
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
[(3aR,7aS)-3a-[2-(pyridin-2-ylamino)ethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone
CID 124801292
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
(4aR,8aR)-4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-(pyridin-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364374
1-[(3-fluorophenyl)methyl]-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]piperidin-4-amine
CID 124742328
(4aS,8aR)-6-(pyridin-4-ylmethyl)-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124520313
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine (CID 124782278) is N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine is Fc1cccc(CN2CC[C@@H]3OCC[C@]3(CCNc3ncccn3)C2)c1.
What is the InChIKey of N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine?
The InChIKey is FYEWOASVRHCTCE-AZUAARDMSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-17-4-1-3-16(13-17)14-25-11-5-18-20(15-25,7-12-26-18)6-10-24-19-22-8-2-9-23-19/h1-4,8-9,13,18H,5-7,10-12,14-15H2,(H,22,23,24)/t18-,20+/m0/s1.
What are the key properties of N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine?
N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine has a molecular weight of 356.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aR,7aS)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 124782278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).