4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H13ClFN5O — CID 23381719

IUPAC4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H13ClFN5O/c14-11-17-12(16-10-3-1-9(15)2-4-10)19-13(18-11)20-5-7-21-8-6-20/h1-4H,5-8H2,(H,16,17,18,19)
InChIKeyRGPVKMKXCPFGBU-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.24
Rot. Bonds3

About 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 23381719) has the molecular formula C13H13ClFN5O and a molecular weight of 309.73 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID23381719
Molecular FormulaC13H13ClFN5O
Molecular Weight309.73 g/mol
Exact Mass309.08
IUPAC Name4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H13ClFN5O/c14-11-17-12(16-10-3-1-9(15)2-4-10)19-13(18-11)20-5-7-21-8-6-20/h1-4H,5-8H2,(H,16,17,18,19)
InChIKeyRGPVKMKXCPFGBU-UHFFFAOYSA-N
XLogP2.24
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-chlorophenyl)-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580323
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
2-N-(4-butylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-chloro-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 45133451
N-[4-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 173062863
4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 18580222
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
4-[(E)-[[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;hydrochloride
CID 136611933
2-N-[(E)-(4-fluorophenyl)methylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 23381719) is 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RGPVKMKXCPFGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5O/c14-11-17-12(16-10-3-1-9(15)2-4-10)19-13(18-11)20-5-7-21-8-6-20/h1-4H,5-8H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 309.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23381719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).