4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

C9H14F2N4 — CID 115409413

IUPAC4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC(F)F)c1C
InChIInChI=1S/C9H14F2N4/c1-5-8(12-3)14-6(2)15-9(5)13-4-7(10)11/h7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyWZMGJFKMEBZTTR-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.81
Rot. Bonds4

About 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 115409413) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID115409413
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC Name4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC(F)F)c1C
InChIInChI=1S/C9H14F2N4/c1-5-8(12-3)14-6(2)15-9(5)13-4-7(10)11/h7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyWZMGJFKMEBZTTR-UHFFFAOYSA-N
XLogP1.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114129076
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777376
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
CID 113490924
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783396
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102701807

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 115409413) is 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCC(F)F)c1C.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is WZMGJFKMEBZTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-5-8(12-3)14-6(2)15-9(5)13-4-7(10)11/h7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 216.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115409413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).