2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol

C16H20F2N6O2 — CID 23648015

IUPAC2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccccc1Nc1nc(NCCO)nc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C16H20F2N6O2/c1-26-12-5-3-2-4-11(12)20-14-21-13(19-7-9-25)22-15(23-14)24-8-6-16(17,18)10-24/h2-5,25H,6-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyBBXZEECKMNPTIO-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.87
Rot. Bonds7

About 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648015) has the molecular formula C16H20F2N6O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648015
Molecular FormulaC16H20F2N6O2
Molecular Weight366.37 g/mol
Exact Mass366.16
IUPAC Name2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccccc1Nc1nc(NCCO)nc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C16H20F2N6O2/c1-26-12-5-3-2-4-11(12)20-14-21-13(19-7-9-25)22-15(23-14)24-8-6-16(17,18)10-24/h2-5,25H,6-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyBBXZEECKMNPTIO-UHFFFAOYSA-N
XLogP1.87
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 57398912
2-N-(2-methoxyphenyl)-4-N-(2-pyrrolidin-1-ylethyl)-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
CID 118250329
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
CID 23872858
6-ethoxy-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80768642
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile
CID 18753222
2-[[4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethanol
CID 2180929
2-[[4-morpholin-4-yl-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 5112726

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 23648015) is 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is COc1ccccc1Nc1nc(NCCO)nc(N2CCC(F)(F)C2)n1.
What is the InChIKey of 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is BBXZEECKMNPTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O2/c1-26-12-5-3-2-4-11(12)20-14-21-13(19-7-9-25)22-15(23-14)24-8-6-16(17,18)10-24/h2-5,25H,6-10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 366.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,3-difluoropyrrolidin-1-yl)-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).