N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H15ClF3N3 — CID 65029180

IUPACN-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)CC(CCl)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3/c1-7(2)5-8(6-12)17-10-16-4-3-9(18-10)11(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyLLKRIGMYGUGBER-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.56
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 65029180) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID65029180
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)CC(CCl)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3/c1-7(2)5-8(6-12)17-10-16-4-3-9(18-10)11(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyLLKRIGMYGUGBER-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106354403
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-(4-chloro-1-methoxybutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 114150928
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 65029180) is N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)CC(CCl)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LLKRIGMYGUGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-7(2)5-8(6-12)17-10-16-4-3-9(18-10)11(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 281.71 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 65029180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).