2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C12H19F3N4 — CID 80955543

IUPAC2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H19F3N4/c1-4-5-16-9-6-10(17-7-12(13,14)15)19-11(18-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyJSFLCENPLIOQAC-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.40
Rot. Bonds6

About 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80955543) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80955543
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H19F3N4/c1-4-5-16-9-6-10(17-7-12(13,14)15)19-11(18-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyJSFLCENPLIOQAC-UHFFFAOYSA-N
XLogP3.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
4-N-(dicyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80962100

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80955543) is 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1cc(NCC(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is JSFLCENPLIOQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-5-16-9-6-10(17-7-12(13,14)15)19-11(18-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80955543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).