4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide

C10H14F3N5 — CID 112755775

IUPAC4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1N(CCC)CC(F)(F)F
InChIInChI=1S/C10H14F3N5/c1-2-3-18(5-10(11,12)13)9-7(8(14)15)4-16-6-17-9/h4,6H,2-3,5H2,1H3,(H3,14,15)
InChIKeyVNQSIJVMEVMAFE-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.54
Rot. Bonds5

About 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide

4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide (PubChem CID 112755775) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
PubChem CID112755775
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1N(CCC)CC(F)(F)F
InChIInChI=1S/C10H14F3N5/c1-2-3-18(5-10(11,12)13)9-7(8(14)15)4-16-6-17-9/h4,6H,2-3,5H2,1H3,(H3,14,15)
InChIKeyVNQSIJVMEVMAFE-UHFFFAOYSA-N
XLogP1.54
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-bromo-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 114883728
5-methyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80815609
2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484495
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboximidamide
CID 130541715
5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484369
3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 80511271
4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
CID 112755752

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide?
The IUPAC name of 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide (CID 112755775) is 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide.
What is the SMILES notation for 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide?
The canonical SMILES for 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncnc1N(CCC)CC(F)(F)F.
What is the InChIKey of 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide?
The InChIKey is VNQSIJVMEVMAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-2-3-18(5-10(11,12)13)9-7(8(14)15)4-16-6-17-9/h4,6H,2-3,5H2,1H3,(H3,14,15).
What are the key properties of 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide?
4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide has a molecular weight of 261.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide is sourced from PubChem (CID 112755775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).