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

C20H23FN6O — CID 155554135

IUPAC4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2cccc(F)c2)C2CCCC2)n1
InChIInChI=1S/C20H23FN6O/c21-16-5-3-4-15(12-16)14-27(17-6-1-2-7-17)20-24-18(13-22)23-19(25-20)26-8-10-28-11-9-26/h3-5,12,17H,1-2,6-11,14H2
InChIKeyQXQTZXHAPZXNBW-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.67
Rot. Bonds5

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

4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 155554135) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID155554135
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2cccc(F)c2)C2CCCC2)n1
InChIInChI=1S/C20H23FN6O/c21-16-5-3-4-15(12-16)14-27(17-6-1-2-7-17)20-24-18(13-22)23-19(25-20)26-8-10-28-11-9-26/h3-5,12,17H,1-2,6-11,14H2
InChIKeyQXQTZXHAPZXNBW-UHFFFAOYSA-N
XLogP2.67
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 155554135) is 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N(Cc2cccc(F)c2)C2CCCC2)n1.
What is the InChIKey of 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is QXQTZXHAPZXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-16-5-3-4-15(12-16)14-27(17-6-1-2-7-17)20-24-18(13-22)23-19(25-20)26-8-10-28-11-9-26/h3-5,12,17H,1-2,6-11,14H2.
What are the key properties of 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 382.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl-[(3-fluorophenyl)methyl]amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 155554135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).