2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H21F3N4 — CID 114564013

IUPAC2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCCCN(C)c1cc(C(F)(F)F)nc(NCC)n1
InChIInChI=1S/C13H21F3N4/c1-4-6-7-8-20(3)11-9-10(13(14,15)16)18-12(19-11)17-5-2/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyHYUHBXZCRXLCKC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.55
Rot. Bonds7

About 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564013) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564013
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCCCN(C)c1cc(C(F)(F)F)nc(NCC)n1
InChIInChI=1S/C13H21F3N4/c1-4-6-7-8-20(3)11-9-10(13(14,15)16)18-12(19-11)17-5-2/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyHYUHBXZCRXLCKC-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565531
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566898
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564013) is 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCCCN(C)c1cc(C(F)(F)F)nc(NCC)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HYUHBXZCRXLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-4-6-7-8-20(3)11-9-10(13(14,15)16)18-12(19-11)17-5-2/h9H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).