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

C21H29N5O — CID 56699978

IUPAC1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
SMILESCCNc1nc(C)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-3-22-21-23-17(2)16-19(24-21)25-12-14-26(15-13-25)20(27)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,22,23,24)
InChIKeyRYFIOGXNRMPCIZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.89
Rot. Bonds7

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

1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one (PubChem CID 56699978) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
PubChem CID56699978
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
SMILESCCNc1nc(C)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-3-22-21-23-17(2)16-19(24-21)25-12-14-26(15-13-25)20(27)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,22,23,24)
InChIKeyRYFIOGXNRMPCIZ-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122351123
1-[6-methyl-2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194140
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122351057
[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
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 70702726
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-phenylpropanamide
CID 121075251
3-[2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122351143
1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122348431

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one (CID 56699978) is 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one is CCNc1nc(C)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one?
The InChIKey is RYFIOGXNRMPCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-22-21-23-17(2)16-19(24-21)25-12-14-26(15-13-25)20(27)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one?
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one has a molecular weight of 367.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 56699978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).