6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine

C9H11ClF3N5 — CID 106219612

IUPAC6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11ClF3N5/c1-2-14-6-15-5(10)16-7(17-6)18-8(3-4-8)9(11,12)13/h2-4H2,1H3,(H2,14,15,16,17,18)
InChIKeyOYXHTYCMGLYCPQ-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.46
Rot. Bonds4

About 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106219612) has the molecular formula C9H11ClF3N5 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine
PubChem CID106219612
Molecular FormulaC9H11ClF3N5
Molecular Weight281.67 g/mol
Exact Mass281.07
IUPAC Name6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11ClF3N5/c1-2-14-6-15-5(10)16-7(17-6)18-8(3-4-8)9(11,12)13/h2-4H2,1H3,(H2,14,15,16,17,18)
InChIKeyOYXHTYCMGLYCPQ-UHFFFAOYSA-N
XLogP2.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
CID 80831993
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12871
6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219554
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219572

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine (CID 106219612) is 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OYXHTYCMGLYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N5/c1-2-14-6-15-5(10)16-7(17-6)18-8(3-4-8)9(11,12)13/h2-4H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106219612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).