4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine

C17H24FN7 — CID 146078208

IUPAC4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCCc1ncnc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)c1F
InChIInChI=1S/C17H24FN7/c1-5-13-15(18)16(20-11-19-13)25-8-6-24(7-9-25)14-10-12(2)21-17(22-14)23(3)4/h10-11H,5-9H2,1-4H3
InChIKeyBLPMDMSOVKRTBK-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.67
Rot. Bonds4

About 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine

4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 146078208) has the molecular formula C17H24FN7 and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
PubChem CID146078208
Molecular FormulaC17H24FN7
Molecular Weight345.43 g/mol
Exact Mass345.21
IUPAC Name4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCCc1ncnc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)c1F
InChIInChI=1S/C17H24FN7/c1-5-13-15(18)16(20-11-19-13)25-8-6-24(7-9-25)14-10-12(2)21-17(22-14)23(3)4/h10-11H,5-9H2,1-4H3
InChIKeyBLPMDMSOVKRTBK-UHFFFAOYSA-N
XLogP1.67
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine with MolForge

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Related Compounds

4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 166136014
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 155974017
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 103880054
4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 133418605

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (CID 146078208) is 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is CCc1ncnc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)c1F.
What is the InChIKey of 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is BLPMDMSOVKRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN7/c1-5-13-15(18)16(20-11-19-13)25-8-6-24(7-9-25)14-10-12(2)21-17(22-14)23(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 345.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 146078208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).