4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

C16H19ClF3N5O — CID 158298723

IUPAC4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C16H19ClF3N5O/c1-4-25(5-2)14-22-13(21-12-8-6-7-11(17)9-12)23-15(24-14)26-10(3)16(18,19)20/h6-10H,4-5H2,1-3H3,(H,21,22,23,24)
InChIKeyVAHPLBYYUACPBA-UHFFFAOYSA-N
MW389.81 g/mol
LogP4.44
Rot. Bonds7

About 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (PubChem CID 158298723) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
PubChem CID158298723
Molecular FormulaC16H19ClF3N5O
Molecular Weight389.81 g/mol
Exact Mass389.12
IUPAC Name4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C16H19ClF3N5O/c1-4-25(5-2)14-22-13(21-12-8-6-7-11(17)9-12)23-15(24-14)26-10(3)16(18,19)20/h6-10H,4-5H2,1-3H3,(H,21,22,23,24)
InChIKeyVAHPLBYYUACPBA-UHFFFAOYSA-N
XLogP4.44
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 157249601
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115548
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 146553735
3-[[4-(diethylamino)-6-[3-fluoro-2-methyl-2,3-bis(phosphanyl)propoxy]-1,3,5-triazin-2-yl]amino]benzaldehyde
CID 170393924
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 159494297
N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 550635
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6,8-bis(4-methoxyphenyl)quinazoline-2,4-diamine
CID 132933267
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 16746118

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (CID 158298723) is 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C)C(F)(F)F)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is VAHPLBYYUACPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N5O/c1-4-25(5-2)14-22-13(21-12-8-6-7-11(17)9-12)23-15(24-14)26-10(3)16(18,19)20/h6-10H,4-5H2,1-3H3,(H,21,22,23,24).
What are the key properties of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 389.81 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158298723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).