4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine

C24H31F2N7O — CID 67980554

IUPAC4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(c1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3ccccc32)n1)C1CCC(N)CC1
InChIInChI=1S/C24H31F2N7O/c1-2-32(17-9-7-16(27)8-10-17)24-29-20(31-11-13-34-14-12-31)15-21(30-24)33-19-6-4-3-5-18(19)28-23(33)22(25)26/h3-6,15-17,22H,2,7-14,27H2,1H3
InChIKeyGXKRQGBMYIMYLG-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.69
Rot. Bonds6

About 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine

4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 67980554) has the molecular formula C24H31F2N7O and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine
PubChem CID67980554
Molecular FormulaC24H31F2N7O
Molecular Weight471.56 g/mol
Exact Mass471.26
IUPAC Name4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(c1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3ccccc32)n1)C1CCC(N)CC1
InChIInChI=1S/C24H31F2N7O/c1-2-32(17-9-7-16(27)8-10-17)24-29-20(31-11-13-34-14-12-31)15-21(30-24)33-19-6-4-3-5-18(19)28-23(33)22(25)26/h3-6,15-17,22H,2,7-14,27H2,1H3
InChIKeyGXKRQGBMYIMYLG-UHFFFAOYSA-N
XLogP3.69
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperidin-4-yl]ethanamine
CID 24766041
(3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-methylmorpholine
CID 90226403
N-[[4-[bis(prop-2-ynyl)amino]cyclohexyl]methyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 88569366
3-[[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]-(2-fluoropropyl)amino]propanal
CID 153225514
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[[4-[2-fluoroethyl(2-methoxyethyl)amino]cyclohexyl]methyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 88569335
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[[1-(1-sulfanylpiperidin-4-yl)piperidin-4-yl]methyl]pyrimidin-2-amine
CID 118892134
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[[4-(thian-4-ylamino)cyclohexyl]methyl]pyrimidin-2-amine
CID 67980095
N'-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethyl-N'-(1-methylsulfonylpiperidin-4-yl)propane-1,3-diamine
CID 46917804
1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxycyclohexyl]-3-(dimethylamino)propan-2-one
CID 148958877
2-amino-1-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone
CID 25057978
(E)-3-[but-2-ynyl-[4-[[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]cyclohexyl]amino]-2-methylprop-1-en-1-ol
CID 70863800
1-[4-[[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-(2-methylpropyl)amino]cyclohexyl]-3-(dimethylamino)propan-2-one
CID 162041534

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine (CID 67980554) is 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine is CCN(c1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3ccccc32)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is GXKRQGBMYIMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N7O/c1-2-32(17-9-7-16(27)8-10-17)24-29-20(31-11-13-34-14-12-31)15-21(30-24)33-19-6-4-3-5-18(19)28-23(33)22(25)26/h3-6,15-17,22H,2,7-14,27H2,1H3.
What are the key properties of 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine?
4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 471.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 67980554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).