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

C25H29N5O — CID 122351609

IUPAC1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
SMILESCCNc1cc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C25H29N5O/c1-3-26-22-18-23(28-19(2)27-22)29-14-16-30(17-15-29)25(31)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,24H,3,14-17H2,1-2H3,(H,26,27,28)
InChIKeyKIFQUQKZYFZOEX-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.70
Rot. Bonds6

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

1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 122351609) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
PubChem CID122351609
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
SMILESCCNc1cc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C25H29N5O/c1-3-26-22-18-23(28-19(2)27-22)29-14-16-30(17-15-29)25(31)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,24H,3,14-17H2,1-2H3,(H,26,27,28)
InChIKeyKIFQUQKZYFZOEX-UHFFFAOYSA-N
XLogP3.70
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 122337670
1-[4-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871168
(E)-1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 122351803
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 122351688
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4677117
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 56699266
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122351747
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122351757

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone (CID 122351609) is 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone is CCNc1cc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is KIFQUQKZYFZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-3-26-22-18-23(28-19(2)27-22)29-14-16-30(17-15-29)25(31)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,24H,3,14-17H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone?
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 415.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 122351609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).