5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine

C21H23N9O — CID 70253902

IUPAC5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCC(C)c1nc2ccccc2n1-c1nc(-c2cnc(N)nc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H23N9O/c1-13(2)18-25-15-5-3-4-6-16(15)30(18)21-27-17(14-11-23-19(22)24-12-14)26-20(28-21)29-7-9-31-10-8-29/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyJWWFPGFXYYPYDS-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.21
Rot. Bonds4

About 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine

5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine (PubChem CID 70253902) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
PubChem CID70253902
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCC(C)c1nc2ccccc2n1-c1nc(-c2cnc(N)nc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H23N9O/c1-13(2)18-25-15-5-3-4-6-16(15)30(18)21-27-17(14-11-23-19(22)24-12-14)26-20(28-21)29-7-9-31-10-8-29/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyJWWFPGFXYYPYDS-UHFFFAOYSA-N
XLogP2.21
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70254737
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-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purine-8-carbaldehyde
CID 86648270
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
(2S,3S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 71526880
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-sulfinic acid
CID 118638783
(2S)-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 71527008
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
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyridin-3-yloxy-1,3,5-triazin-2-yl]morpholine
CID 58102783

Frequently Asked Questions

What is the IUPAC name of 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine (CID 70253902) is 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine is CC(C)c1nc2ccccc2n1-c1nc(-c2cnc(N)nc2)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The InChIKey is JWWFPGFXYYPYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O/c1-13(2)18-25-15-5-3-4-6-16(15)30(18)21-27-17(14-11-23-19(22)24-12-14)26-20(28-21)29-7-9-31-10-8-29/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine has a molecular weight of 417.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 70253902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).