(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine

C14H16F2N4 — CID 175073722

IUPAC(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine
SMILESC[C@H](N)CNCc1ccc(-c2ncc(F)cn2)cc1F
InChIInChI=1S/C14H16F2N4/c1-9(17)5-18-6-11-3-2-10(4-13(11)16)14-19-7-12(15)8-20-14/h2-4,7-9,18H,5-6,17H2,1H3/t9-/m0/s1
InChIKeyXRYNHAQQXUDRSZ-VIFPVBQESA-N
MW278.31 g/mol
LogP1.86
Rot. Bonds5

About (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine

(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine (PubChem CID 175073722) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine
PubChem CID175073722
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine
SMILESC[C@H](N)CNCc1ccc(-c2ncc(F)cn2)cc1F
InChIInChI=1S/C14H16F2N4/c1-9(17)5-18-6-11-3-2-10(4-13(11)16)14-19-7-12(15)8-20-14/h2-4,7-9,18H,5-6,17H2,1H3/t9-/m0/s1
InChIKeyXRYNHAQQXUDRSZ-VIFPVBQESA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine 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-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine
CID 166745084
2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine
CID 153465122
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
CID 62757182
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404972
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine (CID 175073722) is (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine is C[C@H](N)CNCc1ccc(-c2ncc(F)cn2)cc1F.
What is the InChIKey of (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is XRYNHAQQXUDRSZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F2N4/c1-9(17)5-18-6-11-3-2-10(4-13(11)16)14-19-7-12(15)8-20-14/h2-4,7-9,18H,5-6,17H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine?
(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 278.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 175073722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).