[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C19H25N5O — CID 109367301

IUPAC[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(NCc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C19H25N5O/c1-3-23-9-11-24(12-10-23)19(25)17-13-18(22-15(2)21-17)20-14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,21,22)
InChIKeyAHBUUJJBKRXYEE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.17
Rot. Bonds5

About [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109367301) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109367301
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(NCc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C19H25N5O/c1-3-23-9-11-24(12-10-23)19(25)17-13-18(22-15(2)21-17)20-14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,21,22)
InChIKeyAHBUUJJBKRXYEE-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368258
(4-ethylpiperazin-1-yl)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109361944
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367377
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
[6-[3-(dimethylamino)propylamino]-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109366557
(4-ethylpiperazin-1-yl)-[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367329
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367363

Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109367301) is [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(NCc3ccccc3)nc(C)n2)CC1.
What is the InChIKey of [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is AHBUUJJBKRXYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-23-9-11-24(12-10-23)19(25)17-13-18(22-15(2)21-17)20-14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,21,22).
What are the key properties of [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109367301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).