2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine

C13H20F3N3 — CID 167169460

IUPAC2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine
SMILESCCC(CC)Nc1cc(N(C)C)nc(C(F)(F)F)c1
InChIInChI=1S/C13H20F3N3/c1-5-9(6-2)17-10-7-11(13(14,15)16)18-12(8-10)19(3)4/h7-9H,5-6H2,1-4H3,(H,17,18)
InChIKeyLCZUSKWROQZACZ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.77
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine

2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 167169460) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID167169460
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine
SMILESCCC(CC)Nc1cc(N(C)C)nc(C(F)(F)F)c1
InChIInChI=1S/C13H20F3N3/c1-5-9(6-2)17-10-7-11(13(14,15)16)18-12(8-10)19(3)4/h7-9H,5-6H2,1-4H3,(H,17,18)
InChIKeyLCZUSKWROQZACZ-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide
CID 78897830
4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133378151
2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 97316666
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771269
(2R)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771270
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
CID 133365985
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133460079

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine (CID 167169460) is 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine is CCC(CC)Nc1cc(N(C)C)nc(C(F)(F)F)c1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is LCZUSKWROQZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-5-9(6-2)17-10-7-11(13(14,15)16)18-12(8-10)19(3)4/h7-9H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine?
2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 167169460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).