4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

C20H22F2N6O — CID 155519833

IUPAC4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2ccc(F)cc2F)C2CCCC2)n1
InChIInChI=1S/C20H22F2N6O/c21-15-6-5-14(17(22)11-15)13-28(16-3-1-2-4-16)20-25-18(12-23)24-19(26-20)27-7-9-29-10-8-27/h5-6,11,16H,1-4,7-10,13H2
InChIKeyBVFUOBWBJRVLRD-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.81
Rot. Bonds5

About 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 155519833) has the molecular formula C20H22F2N6O and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID155519833
Molecular FormulaC20H22F2N6O
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC Name4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2ccc(F)cc2F)C2CCCC2)n1
InChIInChI=1S/C20H22F2N6O/c21-15-6-5-14(17(22)11-15)13-28(16-3-1-2-4-16)20-25-18(12-23)24-19(26-20)27-7-9-29-10-8-27/h5-6,11,16H,1-4,7-10,13H2
InChIKeyBVFUOBWBJRVLRD-UHFFFAOYSA-N
XLogP2.81
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 155519833) is 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N(Cc2ccc(F)cc2F)C2CCCC2)n1.
What is the InChIKey of 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is BVFUOBWBJRVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O/c21-15-6-5-14(17(22)11-15)13-28(16-3-1-2-4-16)20-25-18(12-23)24-19(26-20)27-7-9-29-10-8-27/h5-6,11,16H,1-4,7-10,13H2.
What are the key properties of 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 400.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl-[(2,4-difluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 155519833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).