5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine

C25H30F2N6O2 — CID 91066839

IUPAC5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(CN5CCOCC5C)cc4F)ncc3F)[nH]2)CCO1
InChIInChI=1S/C25H30F2N6O2/c1-15-14-34-8-6-33(15)13-17-3-4-21(19(26)10-17)31-25-29-11-20(27)23(32-25)22-12-28-24(30-22)18-5-7-35-16(2)9-18/h3-4,10-12,15-16,18H,5-9,13-14H2,1-2H3,(H,28,30)(H,29,31,32)
InChIKeyDNSGYCJPGOBXRW-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.39
Rot. Bonds6

About 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine

5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine (PubChem CID 91066839) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
PubChem CID91066839
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(CN5CCOCC5C)cc4F)ncc3F)[nH]2)CCO1
InChIInChI=1S/C25H30F2N6O2/c1-15-14-34-8-6-33(15)13-17-3-4-21(19(26)10-17)31-25-29-11-20(27)23(32-25)22-12-28-24(30-22)18-5-7-35-16(2)9-18/h3-4,10-12,15-16,18H,5-9,13-14H2,1-2H3,(H,28,30)(H,29,31,32)
InChIKeyDNSGYCJPGOBXRW-UHFFFAOYSA-N
XLogP4.39
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine (CID 91066839) is 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine is CC1CC(c2ncc(-c3nc(Nc4ccc(CN5CCOCC5C)cc4F)ncc3F)[nH]2)CCO1.
What is the InChIKey of 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine?
The InChIKey is DNSGYCJPGOBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c1-15-14-34-8-6-33(15)13-17-3-4-21(19(26)10-17)31-25-29-11-20(27)23(32-25)22-12-28-24(30-22)18-5-7-35-16(2)9-18/h3-4,10-12,15-16,18H,5-9,13-14H2,1-2H3,(H,28,30)(H,29,31,32).
What are the key properties of 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine?
5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine has a molecular weight of 484.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 91066839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).