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

C10H13ClF3N3 — CID 114562202

IUPAC2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H13ClF3N3/c1-3-6(4-2)15-8-5-7(10(12,13)14)16-9(11)17-8/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyGBNMSSJYLHCZOY-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.75
Rot. Bonds4

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

2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562202) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562202
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H13ClF3N3/c1-3-6(4-2)15-8-5-7(10(12,13)14)16-9(11)17-8/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyGBNMSSJYLHCZOY-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562241
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
2-chloro-N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562933
2-chloro-N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562897
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562389
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562202) is 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is CCC(CC)Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GBNMSSJYLHCZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-3-6(4-2)15-8-5-7(10(12,13)14)16-9(11)17-8/h5-6H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 267.68 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).