6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C12H17ClF3N5 — CID 162445329

IUPAC6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(Cl)nc(NC2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C12H17ClF3N5/c1-7(12(14,15)16)17-10-19-9(13)20-11(21-10)18-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,17,18,19,20,21)/t7-/m1/s1
InChIKeyUAYJCYWBNOUTCJ-SSDOTTSWSA-N
MW323.75 g/mol
LogP3.63
Rot. Bonds4

About 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 162445329) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID162445329
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(Cl)nc(NC2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C12H17ClF3N5/c1-7(12(14,15)16)17-10-19-9(13)20-11(21-10)18-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,17,18,19,20,21)/t7-/m1/s1
InChIKeyUAYJCYWBNOUTCJ-SSDOTTSWSA-N
XLogP3.63
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 166860176
3-[4-(cyclobutylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162445333
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-(6-chloro-2-pyridinyl)-4-N-(4,4-difluorocyclohexyl)-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 122440806
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 53418694
3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
CID 162445299
4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13241553
6-chloro-4-N-[4-fluoro-2-(2-fluoroethyl)butyl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 163460730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 162445329) is 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is C[C@@H](Nc1nc(Cl)nc(NC2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UAYJCYWBNOUTCJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c1-7(12(14,15)16)17-10-19-9(13)20-11(21-10)18-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,17,18,19,20,21)/t7-/m1/s1.
What are the key properties of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 323.75 g/mol, XLogP of 3.63, 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-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162445329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).