4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine

C18H24FN5O3S — CID 121428414

IUPAC4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)cc2F)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C18H24FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)/t11-/m0/s1
InChIKeyHPMXVGXKAMXVCU-NSHDSACASA-N
MW409.49 g/mol
LogP1.76
Rot. Bonds4

About 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine

4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine (PubChem CID 121428414) has the molecular formula C18H24FN5O3S and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine
PubChem CID121428414
Molecular FormulaC18H24FN5O3S
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)cc2F)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C18H24FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)/t11-/m0/s1
InChIKeyHPMXVGXKAMXVCU-NSHDSACASA-N
XLogP1.76
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-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

Buparlisib
CID 16654980
Alnodesertib
CID 145766632
4-[(18E)-16-methylsulfonyl-6-(trifluoromethyl)-2,4,8,14,16,25-hexazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3,5,7(25),10(15),11,13,18,20,22-decaen-21-yl]morpholine
CID 134156043
N,N-dimethyl-4-(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)benzenesulfonamide
CID 52944808
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427643
5-(2,6-Dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507767
5-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507962
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 78320151
5-[2-(4-Methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 78324545
2-Amino-4-(trifluoromethyl)-5-[2-(2alpha,6alpha-dimethylmorpholine-4-yl)-4-morpholinopyrimidine-6-yl]pyridine
CID 78324546
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 121334370
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334420

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine (CID 121428414) is 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine is C[C@H]1COCCN1c1nc(-c2cnc(N)cc2F)cc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is HPMXVGXKAMXVCU-NSHDSACASA-N. The full InChI is InChI=1S/C18H24FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)/t11-/m0/s1.
What are the key properties of 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine?
4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 409.49 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 121428414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).