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

C10H15F3N4 — CID 80828673

IUPAC2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-3-14-9-16-7(2)6-8(17-9)15-5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyIQSYMDVNBYJNJE-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.58
Rot. Bonds5

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

2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (PubChem CID 80828673) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
PubChem CID80828673
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-3-14-9-16-7(2)6-8(17-9)15-5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyIQSYMDVNBYJNJE-UHFFFAOYSA-N
XLogP2.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122324769
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424174
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094119

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (CID 80828673) is 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is CCNc1nc(C)cc(NCCC(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The InChIKey is IQSYMDVNBYJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-14-9-16-7(2)6-8(17-9)15-5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80828673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).