2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile

C18H21FN6 — CID 166601479

IUPAC2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile
SMILESCCNc1cc(C)nc(N2CCN(c3cccc(F)c3C#N)CC2)n1
InChIInChI=1S/C18H21FN6/c1-3-21-17-11-13(2)22-18(23-17)25-9-7-24(8-10-25)16-6-4-5-15(19)14(16)12-20/h4-6,11H,3,7-10H2,1-2H3,(H,21,22,23)
InChIKeyMTRFICDXXYOHQE-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.55
Rot. Bonds4

About 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile

2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile (PubChem CID 166601479) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile
PubChem CID166601479
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC Name2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile
SMILESCCNc1cc(C)nc(N2CCN(c3cccc(F)c3C#N)CC2)n1
InChIInChI=1S/C18H21FN6/c1-3-21-17-11-13(2)22-18(23-17)25-9-7-24(8-10-25)16-6-4-5-15(19)14(16)12-20/h4-6,11H,3,7-10H2,1-2H3,(H,21,22,23)
InChIKeyMTRFICDXXYOHQE-UHFFFAOYSA-N
XLogP2.55
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 166601379
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 112923684
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 165433324
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595
N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 39730276
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzonitrile
CID 9024869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile (CID 166601479) is 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile is CCNc1cc(C)nc(N2CCN(c3cccc(F)c3C#N)CC2)n1.
What is the InChIKey of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile?
The InChIKey is MTRFICDXXYOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-3-21-17-11-13(2)22-18(23-17)25-9-7-24(8-10-25)16-6-4-5-15(19)14(16)12-20/h4-6,11H,3,7-10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile?
2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile has a molecular weight of 340.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 166601479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).