N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine

C10H10F3N3 — CID 103704497

IUPACN-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC#CCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3/c1-2-3-4-6-14-9-15-7-5-8(16-9)10(11,12)13/h1,5,7H,3-4,6H2,(H,14,15,16)
InChIKeyALXDATLCGBWTNC-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.32
Rot. Bonds4

About N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine

N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103704497) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103704497
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC NameN-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC#CCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3/c1-2-3-4-6-14-9-15-7-5-8(16-9)10(11,12)13/h1,5,7H,3-4,6H2,(H,14,15,16)
InChIKeyALXDATLCGBWTNC-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.32
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-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 113255994
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
2-fluoro-N-pent-4-ynylpyrimidin-4-amine
CID 164645331
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

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 103704497) is N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine is C#CCCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ALXDATLCGBWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-2-3-4-6-14-9-15-7-5-8(16-9)10(11,12)13/h1,5,7H,3-4,6H2,(H,14,15,16).
What are the key properties of N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 229.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103704497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).