2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine

C12H19F3N4 — CID 115523174

IUPAC2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-2-7-17-11-18-9-5-10(19-11)16-8-4-3-6-12(13,14)15/h5,9H,2-4,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyHSDKHIDGWDLEQJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.44
Rot. Bonds8

About 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine

2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine (PubChem CID 115523174) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
PubChem CID115523174
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-2-7-17-11-18-9-5-10(19-11)16-8-4-3-6-12(13,14)15/h5,9H,2-4,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyHSDKHIDGWDLEQJ-UHFFFAOYSA-N
XLogP3.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.44
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

2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
CID 115515530
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine (CID 115523174) is 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine is CCCNc1nccc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
The InChIKey is HSDKHIDGWDLEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-2-7-17-11-18-9-5-10(19-11)16-8-4-3-6-12(13,14)15/h5,9H,2-4,6-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115523174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).