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

C18H23N5O — CID 109302586

IUPAC(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H23N5O/c1-3-22-10-12-23(13-11-22)17(24)16-8-9-19-18(21-16)20-15-6-4-14(2)5-7-15/h4-9H,3,10-13H2,1-2H3,(H,19,20,21)
InChIKeyURGRPCPPOMZUFZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.31
Rot. Bonds4

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

(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone (PubChem CID 109302586) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
PubChem CID109302586
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H23N5O/c1-3-22-10-12-23(13-11-22)17(24)16-8-9-19-18(21-16)20-15-6-4-14(2)5-7-15/h4-9H,3,10-13H2,1-2H3,(H,19,20,21)
InChIKeyURGRPCPPOMZUFZ-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromoanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302620
[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302642
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302591
[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302672
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
ethyl 4-[[4-(4-acetylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109303228
[2-(butan-2-ylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109297095
(4-ethylpiperazin-1-yl)-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109302527
(4-ethylpiperazin-1-yl)-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109302541
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
4-[2-(4-ethylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302900

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone (CID 109302586) is (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2ccnc(Nc3ccc(C)cc3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
The InChIKey is URGRPCPPOMZUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-22-10-12-23(13-11-22)17(24)16-8-9-19-18(21-16)20-15-6-4-14(2)5-7-15/h4-9H,3,10-13H2,1-2H3,(H,19,20,21).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(4-methylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109302586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).