(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone

C23H26N6O2 — CID 122346390

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)n2)cc1
InChIInChI=1S/C23H26N6O2/c1-15-3-7-18(8-4-15)25-21-13-16(2)24-23(26-21)29-11-9-28(10-12-29)22(30)19-14-20(31-27-19)17-5-6-17/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3,(H,24,25,26)
InChIKeyURSBSKXKFFTBOI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.66
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 122346390) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID122346390
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)n2)cc1
InChIInChI=1S/C23H26N6O2/c1-15-3-7-18(8-4-15)25-21-13-16(2)24-23(26-21)29-11-9-28(10-12-29)22(30)19-14-20(31-27-19)17-5-6-17/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3,(H,24,25,26)
InChIKeyURSBSKXKFFTBOI-UHFFFAOYSA-N
XLogP3.66
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333056
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333800
1-[4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122346475
2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 122346335
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031954
[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122346460
2-methoxy-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031773
N-(4-fluorophenyl)-4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carboxamide
CID 22585337
2-(4-cyclopropylsulfonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346493
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335
furan-3-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346635

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 122346390) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)n2)cc1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is URSBSKXKFFTBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-3-7-18(8-4-15)25-21-13-16(2)24-23(26-21)29-11-9-28(10-12-29)22(30)19-14-20(31-27-19)17-5-6-17/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3,(H,24,25,26).
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122346390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).