(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone

C18H21F2N5O — CID 70702485

IUPAC(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C18H21F2N5O/c1-3-21-18-22-12(2)10-16(23-18)24-6-8-25(9-7-24)17(26)14-5-4-13(19)11-15(14)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,23)
InChIKeyDXEHTZWRRSBUIM-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.46
Rot. Bonds4

About (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone

(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 70702485) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID70702485
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C18H21F2N5O/c1-3-21-18-22-12(2)10-16(23-18)24-6-8-25(9-7-24)17(26)14-5-4-13(19)11-15(14)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,23)
InChIKeyDXEHTZWRRSBUIM-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122351131
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122351043
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 122351062
2,4-difluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075195
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122351151
(2,4-difluorophenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700346
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
(2-chloro-4-fluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031867
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 70702726
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122351057
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone (CID 70702485) is (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone is CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is DXEHTZWRRSBUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c1-3-21-18-22-12(2)10-16(23-18)24-6-8-25(9-7-24)17(26)14-5-4-13(19)11-15(14)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,23).
What are the key properties of (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 361.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70702485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).