N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C18H24FN5 — CID 112913799

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(C)CC2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C18H24FN5/c1-14-13-17(24-11-9-23(2)10-12-24)22-18(21-14)20-8-7-15-3-5-16(19)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,20,21,22)
InChIKeyZIZHLCSQWJBAOO-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.33
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112913799) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112913799
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(C)CC2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C18H24FN5/c1-14-13-17(24-11-9-23(2)10-12-24)22-18(21-14)20-8-7-15-3-5-16(19)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,20,21,22)
InChIKeyZIZHLCSQWJBAOO-UHFFFAOYSA-N
XLogP2.33
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
1-[4-[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914848
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112917640
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909263
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
N'-cyclohexyl-N-[[4-[[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15602877

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112913799) is N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCN(C)CC2)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ZIZHLCSQWJBAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-14-13-17(24-11-9-23(2)10-12-24)22-18(21-14)20-8-7-15-3-5-16(19)6-4-15/h3-6,13H,7-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 329.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112913799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).