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

C18H21FN4O — CID 124782933

IUPACN-[[(3R,3aR,6aR)-5-[(3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
SMILESFc1cccc(CN2C[C@H]3[C@H](CNc4ncccn4)CO[C@H]3C2)c1
InChIInChI=1S/C18H21FN4O/c19-15-4-1-3-13(7-15)9-23-10-16-14(12-24-17(16)11-23)8-22-18-20-5-2-6-21-18/h1-7,14,16-17H,8-12H2,(H,20,21,22)/t14-,16+,17+/m1/s1
InChIKeyKSIJQWDANFMQIB-PVAVHDDUSA-N
MW328.39 g/mol
LogP2.17
Rot. Bonds5

About 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

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 (PubChem CID 124782933) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-[(3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
PubChem CID124782933
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[[(3R,3aR,6aR)-5-[(3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
SMILESFc1cccc(CN2C[C@H]3[C@H](CNc4ncccn4)CO[C@H]3C2)c1
InChIInChI=1S/C18H21FN4O/c19-15-4-1-3-13(7-15)9-23-10-16-14(12-24-17(16)11-23)8-22-18-20-5-2-6-21-18/h1-7,14,16-17H,8-12H2,(H,20,21,22)/t14-,16+,17+/m1/s1
InChIKeyKSIJQWDANFMQIB-PVAVHDDUSA-N
XLogP2.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[[(3R,3aR,6aR)-5-[(3,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
CID 124798948
N-[[(3R,3aR,6aR)-5-(1H-indol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine
CID 133137656
[(3S,3aS,6aS)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-cyclobutylmethanone
CID 124794423
N-[[(3S,3aR,6aR)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
CID 124796875
[(3S,3aS,6aS)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 133136955
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
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
[(3R,3aR,6aR)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 124803622
1-[(3R,3aR,6aR)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-thiophen-2-ylethanone
CID 124793796
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
5-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131658032

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cccc(CN2C[C@H]3[C@H](CNc4ncccn4)CO[C@H]3C2)c1.
What is the InChIKey of 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?
The InChIKey is KSIJQWDANFMQIB-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-4-1-3-13(7-15)9-23-10-16-14(12-24-17(16)11-23)8-22-18-20-5-2-6-21-18/h1-7,14,16-17H,8-12H2,(H,20,21,22)/t14-,16+,17+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 328.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).