US9205085, Msx-193

C16H14F2N6 — CID 49857681

IUPAC2-fluoro-N-[[4-[[(2-fluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine
SMILESC1=CC(=CC=C1CNC2=NC(=NC=C2)F)CNC3=NC(=NC=C3)F
InChIInChI=1S/C16H14F2N6/c17-15-19-7-5-13(23-15)21-9-11-1-2-12(4-3-11)10-22-14-6-8-20-16(18)24-14/h1-8H,9-10H2,(H,19,21,23)(H,20,22,24)
InChIKeyZDXKEURYGUEZLY-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.00
Rot. Bonds6

About US9205085, Msx-193

US9205085, Msx-193 (PubChem CID 49857681) has the molecular formula C16H14F2N6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-fluoro-N-[[4-[[(2-fluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameUS9205085, Msx-193
PubChem CID49857681
Molecular FormulaC16H14F2N6
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Name2-fluoro-N-[[4-[[(2-fluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine
SMILESC1=CC(=CC=C1CNC2=NC(=NC=C2)F)CNC3=NC(=NC=C3)F
InChIInChI=1S/C16H14F2N6/c17-15-19-7-5-13(23-15)21-9-11-1-2-12(4-3-11)10-22-14-6-8-20-16(18)24-14/h1-8H,9-10H2,(H,19,21,23)(H,20,22,24)
InChIKeyZDXKEURYGUEZLY-UHFFFAOYSA-N
XLogP3.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity332

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
Msx-122
CID 11687907
WZ 811
CID 11565518
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-benzylpyrimidin-5-amine
CID 819920
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328069
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328090

Frequently Asked Questions

What is the IUPAC name of US9205085, Msx-193?
The IUPAC name of US9205085, Msx-193 (CID 49857681) is 2-fluoro-N-[[4-[[(2-fluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for US9205085, Msx-193?
The canonical SMILES for US9205085, Msx-193 is C1=CC(=CC=C1CNC2=NC(=NC=C2)F)CNC3=NC(=NC=C3)F.
What is the InChIKey of US9205085, Msx-193?
The InChIKey is ZDXKEURYGUEZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6/c17-15-19-7-5-13(23-15)21-9-11-1-2-12(4-3-11)10-22-14-6-8-20-16(18)24-14/h1-8H,9-10H2,(H,19,21,23)(H,20,22,24).
What are the key properties of US9205085, Msx-193?
US9205085, Msx-193 has a molecular weight of 328.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for US9205085, Msx-193 is sourced from PubChem (CID 49857681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).