N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

C14H14FN3O — CID 166260313

IUPACN-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESCC(Nc1ncc2c(n1)COC2)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O/c1-9(10-3-2-4-12(15)5-10)17-14-16-6-11-7-19-8-13(11)18-14/h2-6,9H,7-8H2,1H3,(H,16,17,18)
InChIKeyHPBHDJXRJWKRCW-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine

N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (PubChem CID 166260313) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
PubChem CID166260313
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
SMILESCC(Nc1ncc2c(n1)COC2)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O/c1-9(10-3-2-4-12(15)5-10)17-14-16-6-11-7-19-8-13(11)18-14/h2-6,9H,7-8H2,1H3,(H,16,17,18)
InChIKeyHPBHDJXRJWKRCW-UHFFFAOYSA-N
XLogP2.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-1H-indazol-5-amine
CID 43691008
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362538
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine (CID 166260313) is N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is CC(Nc1ncc2c(n1)COC2)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
The InChIKey is HPBHDJXRJWKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9(10-3-2-4-12(15)5-10)17-14-16-6-11-7-19-8-13(11)18-14/h2-6,9H,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine?
N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine has a molecular weight of 259.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 166260313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).