2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C14H17ClFN5 — CID 22965413

IUPAC2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClFN5/c1-8(9-4-6-10(15)7-5-9)18-13-20-11(14(2,3)16)19-12(17)21-13/h4-8H,1-3H3,(H3,17,18,19,20,21)
InChIKeyVPIXTKSBHJAOKR-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.48
Rot. Bonds4

About 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 22965413) has the molecular formula C14H17ClFN5 and a molecular weight of 309.78 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID22965413
Molecular FormulaC14H17ClFN5
Molecular Weight309.78 g/mol
Exact Mass309.12
IUPAC Name2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClFN5/c1-8(9-4-6-10(15)7-5-9)18-13-20-11(14(2,3)16)19-12(17)21-13/h4-8H,1-3H3,(H3,17,18,19,20,21)
InChIKeyVPIXTKSBHJAOKR-UHFFFAOYSA-N
XLogP3.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817534
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-phenylethyl)-
CID 183316
6-Chloro-N-ethyl-N-((1R)-1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 184137
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-phenylethyl)-, (S)-
CID 184138
4-(4-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645147
4-[(4-Chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137650191
6-(2-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817340
N2-(2,4-dichlorobenzyl)-N4-(5-(diethylamino)pentan-2-yl)-N6-methyl-1,3,5-triazine-2,4,6-triamine
CID 44430317
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
4-N-[(2R)-butan-2-yl]-6-chloro-2-N-[(1R)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 76308818
4-N-[(2S)-butan-2-yl]-6-chloro-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 76316031

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 22965413) is 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(C)(C)F)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VPIXTKSBHJAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5/c1-8(9-4-6-10(15)7-5-9)18-13-20-11(14(2,3)16)19-12(17)21-13/h4-8H,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 309.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).