4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile

C18H19F3N6O — CID 164610058

IUPAC4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cncnc2C(F)(F)F)cc1NC1CCC(O)CC1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)17-12(7-23-10-26-17)9-25-16-5-15(11(6-22)8-24-16)27-13-1-3-14(28)4-2-13/h5,7-8,10,13-14,28H,1-4,9H2,(H2,24,25,27)
InChIKeyWRHOONMCSKWHRY-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.09
Rot. Bonds5

About 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile

4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 164610058) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile
PubChem CID164610058
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cncnc2C(F)(F)F)cc1NC1CCC(O)CC1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)17-12(7-23-10-26-17)9-25-16-5-15(11(6-22)8-24-16)27-13-1-3-14(28)4-2-13/h5,7-8,10,13-14,28H,1-4,9H2,(H2,24,25,27)
InChIKeyWRHOONMCSKWHRY-UHFFFAOYSA-N
XLogP3.09
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792909
4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
4-[[4-[4-(Cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 67984037
trans-4-((2-(Butylamino)-5-(4-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72792560
4-[[2-(Butylamino)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-2-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792562
4-[[2-(Butylamino)-5-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792563
4-[[2-(Butylamino)-5-[5-[(cyclopropylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792908
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 72792977

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile (CID 164610058) is 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2cncnc2C(F)(F)F)cc1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is WRHOONMCSKWHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c19-18(20,21)17-12(7-23-10-26-17)9-25-16-5-15(11(6-22)8-24-16)27-13-1-3-14(28)4-2-13/h5,7-8,10,13-14,28H,1-4,9H2,(H2,24,25,27).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile?
4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 392.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 164610058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).