4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

C22H28F2N6O2 — CID 162557597

IUPAC4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESC=Cc1c(-c2cnc(N)cc2C(F)(F)CC)nc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C22H28F2N6O2/c1-3-15-19(16-14-26-18(25)13-17(16)22(23,24)4-2)27-21(30-7-11-32-12-8-30)28-20(15)29-5-9-31-10-6-29/h3,13-14H,1,4-12H2,2H3,(H2,25,26)
InChIKeyHPCIFBJKVWDHSF-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.94
Rot. Bonds6

About 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (PubChem CID 162557597) has the molecular formula C22H28F2N6O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
PubChem CID162557597
Molecular FormulaC22H28F2N6O2
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Name4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESC=Cc1c(-c2cnc(N)cc2C(F)(F)CC)nc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C22H28F2N6O2/c1-3-15-19(16-14-26-18(25)13-17(16)22(23,24)4-2)27-21(30-7-11-32-12-8-30)28-20(15)29-5-9-31-10-6-29/h3,13-14H,1,4-12H2,2H3,(H2,25,26)
InChIKeyHPCIFBJKVWDHSF-UHFFFAOYSA-N
XLogP2.94
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine with MolForge

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Related Compounds

5-[5-[4-[2-(2-azidoethoxy)ethoxy]butoxy]-2,6-dimorpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159790715
5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 118000036
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 118012137
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[4-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508292
5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine
CID 87454483
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (CID 162557597) is 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is C=Cc1c(-c2cnc(N)cc2C(F)(F)CC)nc(N2CCOCC2)nc1N1CCOCC1.
What is the InChIKey of 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The InChIKey is HPCIFBJKVWDHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O2/c1-3-15-19(16-14-26-18(25)13-17(16)22(23,24)4-2)27-21(30-7-11-32-12-8-30)28-20(15)29-5-9-31-10-6-29/h3,13-14H,1,4-12H2,2H3,(H2,25,26).
What are the key properties of 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine has a molecular weight of 446.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-5-(5-ethenyl-2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 162557597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).