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

C10H15F3N4 — CID 115523201

IUPAC2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-14-9-16-7-4-8(17-9)15-6-3-2-5-10(11,12)13/h4,7H,2-3,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyNANSOKLCAYRBPS-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.66
Rot. Bonds6

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

2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine (PubChem CID 115523201) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
PubChem CID115523201
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-14-9-16-7-4-8(17-9)15-6-3-2-5-10(11,12)13/h4,7H,2-3,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyNANSOKLCAYRBPS-UHFFFAOYSA-N
XLogP2.66
TPSA49.84 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 ≤ 52.66
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-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
CID 115515530
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 80790250
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
2-N,2-N,6-N-trimethyl-4-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4,6-triamine
CID 115523189
3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785044
4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine
CID 178103545

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine (CID 115523201) is 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine is CNc1nccc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
The InChIKey is NANSOKLCAYRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-14-9-16-7-4-8(17-9)15-6-3-2-5-10(11,12)13/h4,7H,2-3,5-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115523201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).