6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C12H19F3N4 — CID 80942506

IUPAC6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C12H19F3N4/c1-4-9-17-10(16-5-2)8-11(18-9)19(3)7-6-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyWPXREEYXJGIFEO-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.86
Rot. Bonds6

About 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80942506) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80942506
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C12H19F3N4/c1-4-9-17-10(16-5-2)8-11(18-9)19(3)7-6-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyWPXREEYXJGIFEO-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
CID 80846784
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
4-N,6-N,2-trimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80846708
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80934723
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80942506) is 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)CCC(F)(F)F)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is WPXREEYXJGIFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-9-17-10(16-5-2)8-11(18-9)19(3)7-6-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80942506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).