N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine

C17H21F3N6 — CID 146079790

IUPACN-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1
InChIInChI=1S/C17H21F3N6/c1-3-21-16-23-12(2)10-15(24-16)26-8-6-25(7-9-26)14-11-13(4-5-22-14)17(18,19)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,23,24)
InChIKeyTYVSHQWTINNLQS-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.96
Rot. Bonds4

About N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 146079790) has the molecular formula C17H21F3N6 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID146079790
Molecular FormulaC17H21F3N6
Molecular Weight366.39 g/mol
Exact Mass366.18
IUPAC NameN-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1
InChIInChI=1S/C17H21F3N6/c1-3-21-16-23-12(2)10-15(24-16)26-8-6-25(7-9-26)14-11-13(4-5-22-14)17(18,19)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,23,24)
InChIKeyTYVSHQWTINNLQS-UHFFFAOYSA-N
XLogP2.96
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047736
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 155981378
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
4-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-fluorobenzonitrile
CID 171334594
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171327132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine (CID 146079790) is N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine is CCNc1nc(C)cc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1.
What is the InChIKey of N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is TYVSHQWTINNLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6/c1-3-21-16-23-12(2)10-15(24-16)26-8-6-25(7-9-26)14-11-13(4-5-22-14)17(18,19)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,23,24).
What are the key properties of N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 366.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 146079790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).