6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine

C20H20F3N7O3S — CID 59507549

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1
InChIInChI=1S/C20H20F3N7O3S/c1-34(31,32)18-8-12(2-3-25-18)27-17-10-15(28-19(29-17)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23/h2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29)
InChIKeyCUYMKZGVOIVUES-UHFFFAOYSA-N
MW495.49 g/mol
LogP2.52
Rot. Bonds5

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 59507549) has the molecular formula C20H20F3N7O3S and a molecular weight of 495.49 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID59507549
Molecular FormulaC20H20F3N7O3S
Molecular Weight495.49 g/mol
Exact Mass495.13
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1
InChIInChI=1S/C20H20F3N7O3S/c1-34(31,32)18-8-12(2-3-25-18)27-17-10-15(28-19(29-17)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23/h2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29)
InChIKeyCUYMKZGVOIVUES-UHFFFAOYSA-N
XLogP2.52
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

Buparlisib
CID 16654980
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-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979398
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
US9676721, 57 2-cyano-1-({4-[6-(morpholin-4-yl)pyridine-3-sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929356
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427643
2-[4-[[4-(2-Methyl-6-methylsulfonylpyridin-3-yl)cyclohexyl]oxymethyl]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
CID 66556985
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-pyridin-4-ylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]urea
CID 68842025
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544
5-[2-(4-Methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 78324545
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 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 59507549) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine is CS(=O)(=O)c1cc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)ccn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CUYMKZGVOIVUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O3S/c1-34(31,32)18-8-12(2-3-25-18)27-17-10-15(28-19(29-17)30-4-6-33-7-5-30)13-11-26-16(24)9-14(13)20(21,22)23/h2-3,8-11H,4-7H2,1H3,(H2,24,26)(H,25,27,28,29).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 495.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59507549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).