4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C18H23FN6O — CID 18566548

IUPAC4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCNc1cc(C)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H23FN6O/c1-3-20-16-12-13(2)21-17(23-16)24-8-10-25(11-9-24)18(26)22-15-6-4-14(19)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,22,26)(H,20,21,23)
InChIKeyFSDLDDRJWPLVJQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.71
Rot. Bonds4

About 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 18566548) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID18566548
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCNc1cc(C)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H23FN6O/c1-3-20-16-12-13(2)21-17(23-16)24-8-10-25(11-9-24)18(26)22-15-6-4-14(19)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,22,26)(H,20,21,23)
InChIKeyFSDLDDRJWPLVJQ-UHFFFAOYSA-N
XLogP2.71
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 18566548) is 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide is CCNc1cc(C)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is FSDLDDRJWPLVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-3-20-16-12-13(2)21-17(23-16)24-8-10-25(11-9-24)18(26)22-15-6-4-14(19)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,22,26)(H,20,21,23).
What are the key properties of 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-6-methylpyrimidin-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18566548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).