4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C25H28F2N10O2 — CID 66854529

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN1CCC(Oc2ncc(Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)cn2)CC1
InChIInChI=1S/C25H28F2N10O2/c1-35-8-6-17(7-9-35)39-25-28-14-16(15-29-25)30-22-32-23(36-10-12-38-13-11-36)34-24(33-22)37-19-5-3-2-4-18(19)31-21(37)20(26)27/h2-5,14-15,17,20H,6-13H2,1H3,(H,30,32,33,34)
InChIKeyDLXARKLUAUILJO-UHFFFAOYSA-N
MW538.56 g/mol
LogP2.99
Rot. Bonds7

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66854529) has the molecular formula C25H28F2N10O2 and a molecular weight of 538.56 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66854529
Molecular FormulaC25H28F2N10O2
Molecular Weight538.56 g/mol
Exact Mass538.24
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN1CCC(Oc2ncc(Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)cn2)CC1
InChIInChI=1S/C25H28F2N10O2/c1-35-8-6-17(7-9-35)39-25-28-14-16(15-29-25)30-22-32-23(36-10-12-38-13-11-36)34-24(33-22)37-19-5-3-2-4-18(19)31-21(37)20(26)27/h2-5,14-15,17,20H,6-13H2,1H3,(H,30,32,33,34)
InChIKeyDLXARKLUAUILJO-UHFFFAOYSA-N
XLogP2.99
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 68779056
5-N-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,5-diamine
CID 123704868
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 123563431
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 162159231
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 123166656
N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-3H-indol-6-amine
CID 158621311
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 121354718
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyridin-3-yloxy-1,3,5-triazin-2-yl]morpholine
CID 58102783
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
CID 67980102
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70675193
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]butan-2-one
CID 159700704

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66854529) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CN1CCC(Oc2ncc(Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)cn2)CC1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is DLXARKLUAUILJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N10O2/c1-35-8-6-17(7-9-35)39-25-28-14-16(15-29-25)30-22-32-23(36-10-12-38-13-11-36)34-24(33-22)37-19-5-3-2-4-18(19)31-21(37)20(26)27/h2-5,14-15,17,20H,6-13H2,1H3,(H,30,32,33,34).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 538.56 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66854529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).