4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine

C12H18F3N5 — CID 80847307

IUPAC4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C12H18F3N5/c1-2-17-9-6-10(19-11(16)18-9)20-5-3-4-8(7-20)12(13,14)15/h6,8H,2-5,7H2,1H3,(H3,16,17,18,19)
InChIKeyMHFACQFWFFMTAF-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.27
Rot. Bonds3

About 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine

4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 80847307) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID80847307
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCCNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C12H18F3N5/c1-2-17-9-6-10(19-11(16)18-9)20-5-3-4-8(7-20)12(13,14)15/h6,8H,2-5,7H2,1H3,(H3,16,17,18,19)
InChIKeyMHFACQFWFFMTAF-UHFFFAOYSA-N
XLogP2.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847527
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 66449158
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 91210228
1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 80823753
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699
6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 80822823
6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2,3-diamine
CID 79825633
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
CID 115563060

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine (CID 80847307) is 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is CCNc1cc(N2CCCC(C(F)(F)F)C2)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is MHFACQFWFFMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-17-9-6-10(19-11(16)18-9)20-5-3-4-8(7-20)12(13,14)15/h6,8H,2-5,7H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine?
4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 289.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80847307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).