4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C11H14ClF3N4O — CID 62863275

IUPAC4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H14ClF3N4O/c1-6(2)20-10-17-8(12)16-9(18-10)19(7-3-4-7)5-11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyMIBZEDBRDUTQRJ-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.84
Rot. Bonds5

About 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62863275) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62863275
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H14ClF3N4O/c1-6(2)20-10-17-8(12)16-9(18-10)19(7-3-4-7)5-11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyMIBZEDBRDUTQRJ-UHFFFAOYSA-N
XLogP2.84
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64520815
6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62863617
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80815110
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82748110
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 62863945
2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 64745938
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
CID 62857798
N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863220
4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80790304
4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64920878
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 79679199

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62863275) is 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is MIBZEDBRDUTQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-6(2)20-10-17-8(12)16-9(18-10)19(7-3-4-7)5-11(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 310.71 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).