N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine

C11H12F3N3 — CID 113255994

IUPACN-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC#CCCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3/c1-2-3-4-5-7-15-10-16-8-6-9(17-10)11(12,13)14/h1,6,8H,3-5,7H2,(H,15,16,17)
InChIKeyQVEVINNASUCBKS-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.71
Rot. Bonds5

About N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine

N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 113255994) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID113255994
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC NameN-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC#CCCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3/c1-2-3-4-5-7-15-10-16-8-6-9(17-10)11(12,13)14/h1,6,8H,3-5,7H2,(H,15,16,17)
InChIKeyQVEVINNASUCBKS-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 103704497
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
4,4-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]hexanoic acid
CID 65285293
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzonitrile
CID 47281617

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 113255994) is N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine is C#CCCCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QVEVINNASUCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-2-3-4-5-7-15-10-16-8-6-9(17-10)11(12,13)14/h1,6,8H,3-5,7H2,(H,15,16,17).
What are the key properties of N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 243.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 113255994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).