2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H21F3N4O — CID 114565215

IUPAC2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCC(COC)Nc1cc(C(F)(F)F)nc(NCC)n1
InChIInChI=1S/C13H21F3N4O/c1-4-6-9(8-21-3)18-11-7-10(13(14,15)16)19-12(20-11)17-5-2/h7,9H,4-6,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyGJOBQWPSAGELKN-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.15
Rot. Bonds8

About 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565215) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565215
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCC(COC)Nc1cc(C(F)(F)F)nc(NCC)n1
InChIInChI=1S/C13H21F3N4O/c1-4-6-9(8-21-3)18-11-7-10(13(14,15)16)19-12(20-11)17-5-2/h7,9H,4-6,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyGJOBQWPSAGELKN-UHFFFAOYSA-N
XLogP3.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565215) is 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCC(COC)Nc1cc(C(F)(F)F)nc(NCC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GJOBQWPSAGELKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-4-6-9(8-21-3)18-11-7-10(13(14,15)16)19-12(20-11)17-5-2/h7,9H,4-6,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).