6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C12H19ClF3N5 — CID 62864660

IUPAC6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C12H19ClF3N5/c1-5-20(6-2)10-17-9(13)18-11(19-10)21(8(3)4)7-12(14,15)16/h8H,5-7H2,1-4H3
InChIKeyHDMJLOOUHWJUGY-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds6

About 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62864660) has the molecular formula C12H19ClF3N5 and a molecular weight of 325.77 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62864660
Molecular FormulaC12H19ClF3N5
Molecular Weight325.77 g/mol
Exact Mass325.13
IUPAC Name6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C12H19ClF3N5/c1-5-20(6-2)10-17-9(13)18-11(19-10)21(8(3)4)7-12(14,15)16/h8H,5-7H2,1-4H3
InChIKeyHDMJLOOUHWJUGY-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Chlorazine
CID 11380
s-Triazine, 2,4-bis(diethylamino)-6-fluoro-
CID 15334
4,6-Dichloro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 13961052
6-Chloro-n-ethyl-n-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18757620
6-Chloro-N2,N2,N4,N4-tetrakis(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 21443681
N,N-Dibutyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 13628700
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 14822106
6-chloro-2-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453892
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453895
4,6-Difluoro-N,N-dipropyl-1,3,5-triazin-2-amine
CID 53692437
4,6-Difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 54010620

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 62864660) is 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HDMJLOOUHWJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3N5/c1-5-20(6-2)10-17-9(13)18-11(19-10)21(8(3)4)7-12(14,15)16/h8H,5-7H2,1-4H3.
What are the key properties of 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 325.77 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).