[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

C18H23N5O — CID 109253999

IUPAC[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(NCc3ccccc3)nc2)CC1
InChIInChI=1S/C18H23N5O/c1-2-22-8-10-23(11-9-22)17(24)16-13-20-18(21-14-16)19-12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,19,20,21)
InChIKeyUAFKOQYECACCNL-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.87
Rot. Bonds5

About [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109253999) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109253999
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(NCc3ccccc3)nc2)CC1
InChIInChI=1S/C18H23N5O/c1-2-22-8-10-23(11-9-22)17(24)16-13-20-18(21-14-16)19-12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,19,20,21)
InChIKeyUAFKOQYECACCNL-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254031
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
1-[4-[2-[(4-fluorophenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254612
4-[2-[(3-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254305
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109254112
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
ethyl 4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109255699
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254066
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109253999) is [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(NCc3ccccc3)nc2)CC1.
What is the InChIKey of [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is UAFKOQYECACCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-22-8-10-23(11-9-22)17(24)16-13-20-18(21-14-16)19-12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,19,20,21).
What are the key properties of [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109253999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).