N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine

C10H15F3N4 — CID 107323566

IUPACN'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
SMILESNCCCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)8-4-7-16-9(17-8)15-6-3-1-2-5-14/h4,7H,1-3,5-6,14H2,(H,15,16,17)
InChIKeyPJBCDLISDXELNT-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.04
Rot. Bonds6

About N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine

N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine (PubChem CID 107323566) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
PubChem CID107323566
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC NameN'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
SMILESNCCCCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)8-4-7-16-9(17-8)15-6-3-1-2-5-14/h4,7H,1-3,5-6,14H2,(H,15,16,17)
InChIKeyPJBCDLISDXELNT-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 113255994
N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 103704497
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
3-ethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
CID 106287283
2,2-diethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 106251652
(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
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
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
CID 103766936

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine?
The IUPAC name of N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine (CID 107323566) is N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine.
What is the SMILES notation for N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine?
The canonical SMILES for N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine is NCCCCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine?
The InChIKey is PJBCDLISDXELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)8-4-7-16-9(17-8)15-6-3-1-2-5-14/h4,7H,1-3,5-6,14H2,(H,15,16,17).
What are the key properties of N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine?
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine is sourced from PubChem (CID 107323566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).