4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine

C17H19ClFN5O — CID 118979301

IUPAC4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine
SMILESFc1cc(Nc2ncnc(Cl)n2)ccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C17H19ClFN5O/c18-16-20-10-21-17(23-16)22-12-1-2-14(15(19)7-12)11-3-5-24(6-4-11)13-8-25-9-13/h1-2,7,10-11,13H,3-6,8-9H2,(H,20,21,22,23)
InChIKeyGMOGIONNJPNBSG-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.99
Rot. Bonds4

About 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine

4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine (PubChem CID 118979301) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine
PubChem CID118979301
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine
SMILESFc1cc(Nc2ncnc(Cl)n2)ccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C17H19ClFN5O/c18-16-20-10-21-17(23-16)22-12-1-2-14(15(19)7-12)11-3-5-24(6-4-11)13-8-25-9-13/h1-2,7,10-11,13H,3-6,8-9H2,(H,20,21,22,23)
InChIKeyGMOGIONNJPNBSG-UHFFFAOYSA-N
XLogP2.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
CID 172686201
5-fluoro-2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxy-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 129253622
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
4-(8-chloro-2,2-dimethyl-4-propan-2-yl-3H-1,4-benzoxazin-6-yl)-5-fluoro-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 139410390
N-chloro-4-cyclopropyl-3-fluoroaniline
CID 90167485
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
4-[[6-(tert-butylsulfonylmethyl)pyrimidin-4-yl]methyl]-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidin-2-amine
CID 165001017
5-fluoro-4-(8-fluoro-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 163417187
4-chloro-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3,5-triazin-2-amine
CID 118979509
4-[4-(cyclohexylmethyl)-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]-5-fluoro-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 139410357
6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
CID 86679829
4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 123288315

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine (CID 118979301) is 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine is Fc1cc(Nc2ncnc(Cl)n2)ccc1C1CCN(C2COC2)CC1.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is GMOGIONNJPNBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c18-16-20-10-21-17(23-16)22-12-1-2-14(15(19)7-12)11-3-5-24(6-4-11)13-8-25-9-13/h1-2,7,10-11,13H,3-6,8-9H2,(H,20,21,22,23).
What are the key properties of 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine?
4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 363.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 118979301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).