(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone

C16H22N6O2 — CID 109326278

IUPAC(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc(Nc3cc(C)on3)n2)CC1
InChIInChI=1S/C16H22N6O2/c1-4-21-5-7-22(8-6-21)15(23)13-9-11(2)17-16(18-13)19-14-10-12(3)24-20-14/h9-10H,4-8H2,1-3H3,(H,17,18,19,20)
InChIKeyOFOIJRVLUPPKGS-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.60
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone (PubChem CID 109326278) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
PubChem CID109326278
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc(Nc3cc(C)on3)n2)CC1
InChIInChI=1S/C16H22N6O2/c1-4-21-5-7-22(8-6-21)15(23)13-9-11(2)17-16(18-13)19-14-10-12(3)24-20-14/h9-10H,4-8H2,1-3H3,(H,17,18,19,20)
InChIKeyOFOIJRVLUPPKGS-UHFFFAOYSA-N
XLogP1.60
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109331523
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196
methyl 4-[[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109326253
(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109326189
[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
N-tert-butyl-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109332844
4-(4-ethylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109084521
[2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109323265
N-(2-ethylphenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109336259
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326179
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310528

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone (CID 109326278) is (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(C)nc(Nc3cc(C)on3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
The InChIKey is OFOIJRVLUPPKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-21-5-7-22(8-6-21)15(23)13-9-11(2)17-16(18-13)19-14-10-12(3)24-20-14/h9-10H,4-8H2,1-3H3,(H,17,18,19,20).
What are the key properties of (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109326278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).