2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine

C11H15ClF3N3 — CID 114174544

IUPAC2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H15ClF3N3/c1-4-10(3,5-2)18-8-6-7(11(13,14)15)16-9(12)17-8/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQPNSURDNMHKOJO-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114174544) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114174544
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC Name2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H15ClF3N3/c1-4-10(3,5-2)18-8-6-7(11(13,14)15)16-9(12)17-8/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQPNSURDNMHKOJO-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562241
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 114562209
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
CID 114562271
2-chloro-N-(4-propan-2-yloxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106013798
2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114174544) is 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CCC(C)(CC)Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QPNSURDNMHKOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-4-10(3,5-2)18-8-6-7(11(13,14)15)16-9(12)17-8/h6H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.71 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114174544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).