(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone

C18H23N5O — CID 109326196

IUPAC(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5O/c1-3-22-9-11-23(12-10-22)17(24)16-13-14(2)19-18(21-16)20-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,20,21)
InChIKeyMBDZQZQZLVMDDL-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.31
Rot. Bonds4

About (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone

(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109326196) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID109326196
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5O/c1-3-22-9-11-23(12-10-22)17(24)16-13-14(2)19-18(21-16)20-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,20,21)
InChIKeyMBDZQZQZLVMDDL-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

methyl 4-[[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109326253
[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326236
[2-(3-chloro-4-fluoroanilino)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326229
(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109326278
N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109326189
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321867
N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326521
(4-benzylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109331523

Frequently Asked Questions

What is the IUPAC name of (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone (CID 109326196) is (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(C)nc(Nc3ccccc3)n2)CC1.
What is the InChIKey of (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is MBDZQZQZLVMDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-22-9-11-23(12-10-22)17(24)16-13-14(2)19-18(21-16)20-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,20,21).
What are the key properties of (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-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 (2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109326196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).