5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine

C14H17FN4O — CID 75104520

IUPAC5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
SMILESCOC(c1ccc(-c2cnc(N)nc2)cc1)C(N)CF
InChIInChI=1S/C14H17FN4O/c1-20-13(12(16)6-15)10-4-2-9(3-5-10)11-7-18-14(17)19-8-11/h2-5,7-8,12-13H,6,16H2,1H3,(H2,17,18,19)
InChIKeyFPVCCHGOFWEZDO-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.71
Rot. Bonds5

About 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine

5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine (PubChem CID 75104520) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
PubChem CID75104520
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
SMILESCOC(c1ccc(-c2cnc(N)nc2)cc1)C(N)CF
InChIInChI=1S/C14H17FN4O/c1-20-13(12(16)6-15)10-4-2-9(3-5-10)11-7-18-14(17)19-8-11/h2-5,7-8,12-13H,6,16H2,1H3,(H2,17,18,19)
InChIKeyFPVCCHGOFWEZDO-UHFFFAOYSA-N
XLogP1.71
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine 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

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine
CID 142457050
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol
CID 145467283
3-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 145467661
[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145468052
5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
CID 145116253
N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
CID 90088134
(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine
CID 134395722
3-fluoro-1-[4-(3-fluoroazetidin-1-yl)phenyl]-1-methoxypropan-2-amine
CID 145467339
2-[1-[(1R,2S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-yl]triazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 45258753
3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 142457120
5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
CID 39818402

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine (CID 75104520) is 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine is COC(c1ccc(-c2cnc(N)nc2)cc1)C(N)CF.
What is the InChIKey of 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine?
The InChIKey is FPVCCHGOFWEZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-20-13(12(16)6-15)10-4-2-9(3-5-10)11-7-18-14(17)19-8-11/h2-5,7-8,12-13H,6,16H2,1H3,(H2,17,18,19).
What are the key properties of 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine?
5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine has a molecular weight of 276.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 75104520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).