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

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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).